Publications from Research Conducted at POWGEN

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POWGEN | BL-11A | SNS

Publications from Research Conducted at POWGEN

The following 774 publications were retrieved from PuSH (Publications of SNS and HFIR)

2024 60 Publications

Acharya N., Karki S.B., Giordano L., Ramezanipour F., "A Design Strategy for Highly Active Oxide Electrocatalysts by Incorporation of Oxygen-Vacancies", Small, 20, 2403415 (2024).

Adhikari S.K., Roy R., Numan M., Das A., Roy R., Das S., Sannigrahi J., Pramanick S., De K., Zhang Q., Levcenco S., Welter E., Bandyopadhyay S., Mondal R., Chatterjee S., "Exploring the impact of Cr-doping on the crystallographic and magnetic structure of Mn5Si3 antiferromagnetic alloy", Physical Review Materials , 8, 064405 (2024).

Anderson L.O., Zhang Q., Perry N.H., "Tuning Perovskites' Hydration-Induced Chemical Expansion with Octahedral Tilt Angles", Chemistry of Materials, 36, 5953–5964 (2024).

Arndt N., Musico B.L., Parui K., Sahebkar K., Zhang Q., Mazza A.R., Butala M.M., Keppens V., Ward T.Z., Need R., "Magnetic structure and properties of the compositionally complex perovskite (Y0.2La0.2Pr0.2Nd0.2Tb0.2)MnO3", Journal of Materials Chemistry C, 12, 13474-13484 (2024).

Banik A., Samanta B., Helm B., Kraft M.A., Rudel Y., Li C., Hansen M.R., Lotsch B.V., Bette S., Zeier W.G., "Exploring Layered Disorder in Lithium-Ion-Conducting Li3Y1-xInxCl6", Inorganic Chemistry, 63, 8698-8709 (2024).

Blades W.H., Redemann B.W., Smith N.C., Sur D., Barbieri M.S., Xie Y., Lech S., Anber E., Taheri M., Wolverton C., McQueen T.M., Scully J.R., Sieradzki K., "Tuning chemical short-range order for stainless behavior at reduced chromium concentrations in multi-principal element alloys", Acta Materialia, 277, 120209 (2024).

Boswell M., Zhang Q., Ke X., Li M., Xie W., "Triangular Lattice of Ho3+ with Seff = 1\/2 in Antiferromagnetic KHoSe2", ACS Applied Electronic Materials, 6, 3827-3834 (2024).

Brahmbhatt T., Li C., Garaga M., Tsai W.Y., Greenbaum S.G., Nanda J., Sacci R.L., "Tuning lithium-yttrium chloride local structure through coordination control and mixing during synthesis", Inorganic Chemistry Frontiers, 11, 3001-3010 (2024).

Campbell I., Garlea V.O., Zhang Q., Adhikari Y., Xiong P., Yutronkie N.J., Rogalev A., Shatruk M., "Antiferromagnetic Ordering in Quasi-One-Dimensional FeBi4S7", Chemistry of Materials, 36, 7, 3417–3423 (2024).

Chen J., Chhetri T.P., Grant A.T., Bai X., Zhang Q., Chang C., Young D.P., Dubenko I., Talapatra S., Ali N., Stadler S., "Controlling phase transitions in MnNiGe using thermal quenching and hydrostatic pressure", Journal of Physics D: Applied Physics, 57, 20, 205003 (2024).

Chiu N., Gladysiak A., Yadav A.K., Abreu-Jauregui C., Manjon-Sanz A., Li C., Huang H., Silvestre-Albero J., Stylianou K.C., "Gas Adsorption Snapshots in Metal-Organic Frameworks Unveil the Impact of Pore Geometry on Hydrogen Storage", ACS Materials Letters, 6, 4098-4105 (2024).

da Cruz Pinha Barbosa V., Maharaj D.D., Cronkright Z.W., Wang Y., Cong R., Garcia E., Reyes A., Yan J.Q., Ritter C., Mitrovic V.F., Gaulin B.D., Greedan J.E., Woodward P.M., "Exploring the Links between Structural Distortions, Orbital Ordering, and Multipolar Magnetic Ordering in Double Perovskites Containing Re(VI) and Os(VII)", Chemistry of Materials, (2024).

Daemen L.L., Schrell S., "Actinides and Neutron Scattering at the Spallation Neutron Source and High Flux Isotope Reactor", Oak Ridge National Laboratory TM-2024/3525 (2024).

Dong B., Poletayev A.D., Cottom J.P., Castells-Gil J., Spencer B.F., Li C., Zhu P., Chen Y., Price J., Driscoll L.L., Allan P.K., Kendrick E., Islam M.R., Slater P.R., "Effects of sulfate modification of stoichiometric and lithium-rich LiNiO2 cathode materials", Journal of Materials Chemistry A, 12, 11390-11402 (2024).

Evans H.A., Yildirim T., Peng P., Cheng Y.Q., Deng Z., Zhang Q., Mullangi D., Zhao D., Canepa P., Breunig H.M., Cheetham A.K., Brown C.M., "Alf", Neutron News, 35, 11-12 (2024).

Evans H.A., Yildrim T., Peng P., Cheng Y.Q., Deng Z., Zhang Q., Mullangi D., Zhao D., Canepa P., Breunig H.M., Cheetham A.K., Brown C.M., "ALF", Neutron News, 35, 11–12 (2024).

Ghosh K., Rahman S., Ovchinnikov A., Bobev S., "Applicability of the Zintl Concept to Understanding the Crystal Chemistry of Lithium-Rich Germanides and Stannides", Inorganic Chemistry, 63, 20173–20185 (2024).

Gofron K.J., Vacaliuc B., Knudson IV R., Hicks S., "Noise Mitigation for Neutron Detector Data Transport", 19th International Conference on Accelerator and Large Experimental Physics Control Systems, JACOW Publishing, Geneva, Switzerland, 2024, pp. 1066-1070., (2024).

Gu Y., Kao Z., Hao Y., Zhu W., Zhang Q., Wu Y., Xu C., Cao H.B., Zhao J., "Noncoplanar magnetic order in the breathing kagome lattice compound Pb (OF) Cu3 ( SeO3) 2 (NO3)", Physical Review B, 109, 2, 024402 (2024).

Hartel J., Banik A., Ali M., Helm B., Strotmann K., Faka V., Maus O., Li C., Wiggers H., Zeier W.G., "Investigating the Influence of Transition Metal Substitution in Lithium Argyrodites on Structure, Transport, and Solid-State Battery Performance", Chemistry of Materials, 36, 10731–10745 (2024).

Hasan Z., Zoghlin E., Winiarski M.J., Arpino K.E., Halloran T., Tran T.T., McQueen T.M., "Quasi-one-dimensional exchange interactions and short-range magnetic correlations in CuTeO4", Physical Review B, 109, 195168 (2024).

Helm B., Strotmann K., Boger T., Samanta B., Banik A., Lange M.A., Li Y., Li C., Hansen M.R., Canepa P., Zeier W.G., "Reducing the Defect Formation Energy by Aliovalent Sn(+IV) and Isovalent P(+V) Substitution in Li3SbS4 Promotes Li+ Transport", ACS Applied Energy Materials, 7, 5, 1735–1747 (2024).

Herklotz A., Grove K., Bowen M.S., Quade R.M., Tippey K.E., Cann D.P., "Insights into the HfnNb2O2n+5 homologous phases from experimental, first-principle, and force-field studies", Journal of the American Ceramic Society, 107, 6554-6561 (2024).

Htet C.S., Manjon-Sanz A., Liu J., Babori C., Barati M., Marlton F., Daniel L., Jorgensen M., Pramanick A., "Local structural mechanism for enhanced energy storage properties in heterovalent doped NaNbO3 ceramics", Journal of the European Ceramic Society, 44, 3, 1597-1609 (2024).

Huang Y., Li J., Ramirez A.P., Subramanian M.A., "New Solid Solutions with the R-type Hexaferrite Structure, BaFe4-xMxM'2O11 (M = In, Sc; M' = Ti, Sn)", Progress in Solid State Chemistry, 76, 100494 (2024).

Ko S.L., Dorrell J.A., Morris A., Griffith K., "Metastable layered lithium-rich niobium and tantalum oxides via nearly instantaneous cation exchange", Faraday Discussions, (2024).

Lee S., Li C., Manthiram A., "Effects of Calcination Conditions on the Structural and Electrochemical Behaviors of High-Nickel, Cobalt-Free LiNi0.9Mn0.1O2 Cathode", Advanced Energy Materials, 14, 2400662 (2024).

Liu X., Tao R., Li C., Wang J., Yao S., Hong C., Geng H.J., Liang J., "Inert salt-assisted solvent-free synthesis of high-entropy oxide towards high-performance lithium-ion batteries", Chemical Engineering Journal, 484, 149791 (2024).

Macchiutti C., Jesus J.R., Carneiro F.B., Bufaical L., Klein R.A., Zhang Q., Kirkham M.J., Brown C.M., dos Reis R., Perez G., Bittar E.M., "Tuning the spontaneous exchange bias effect in La1.5 Sr0.5 CoMnO6 with sintering temperature", Physical Review Materials , 8, 4, 044408 (2024).

Mandujano H., Salas G.S., Li T., Zavalij P., Manjon-Sanz A., Butch N.P., Rodriguez E.E., "Itinerant A-type antiferromagnetic order in Co1\/4TaSe2", Physical Review B, 110, 144420 (2024).

Meinerzhagen Y., Eickmeier K., Muller P.C., Hempelmann J., Houben A., Dronskowski R., "Multidimensional Rietveld refinement of high‐pressure neutron diffraction data of PbNCN", Journal of Applied Crystallography, 57, 1436-1445 (2024).

Meschke V., Novick A., Rogers J., Porter C., Chang R., Proffen T., Toberer E.S., "Resolving local ordering and structure in MnxGe1-xTe alloys through thermodynamic ensembles of pair distribution functions", Journal of Materials Chemistry C, 12, 13863-13874 (2024).

Min L.J., Barber J.P., Wang Y., Gayathri Ayyagari S.V., Niculescu G.E., Krysko E., Bejger G.R., Miao L., Lee S.H., Zhang Q., Alem N., Rost C.M., Mao Z.Q., "High Entropy Protected Sharp Magnetic Transitions in Highly Disordered Spinel Ferrites", Journal of the American Chemical Society, 146, 24320–24329 (2024).

Moy A., "Ceramic Processing Effects on the Multiscale Structure and Transport of Li7La3Zr2O12", Ph.D. Dissertation, University of Michigan (2024).

Moy A., Manjon-Sanz A., Caracciolo T.C., Lobanov M.V., Veith G.M., Sakamoto J., "Effects of Al concentration on the structure and conductivity of lithium lanthanum zirconium oxide", Journal of Materials Chemistry A, 12, 28193-28210 (2024).

Mullens B.G., Marlton F., Saura-Muzquiz M., Saura-Múzquiz M., Everett M., Li C., Manjon-Sanz A., Tucker M.G., Poineau F., Louis-Jean J., Mukherjee S., Vaitheeswaran G., Kennedy B.J., "Toxic, radioactive, and disordered: a total scattering study of TlTcO4", Physical Chemistry Chemical Physics, 26, 29270-29282 (2024).

Murshed M.M., Fischer M., Koza M., Gesing T.M., "Thermal behaviors during lithium diffusion in Li0.4WO3 bronze studied by elastic and quasi-elastic neutron scattering", Physical Chemistry Chemical Physics, 26, 16191-16199 (2024).

Nachtigall N., Houben A., Dronskowski R., "Multievent Correlation with Neutron Volume Detectors", Quantum Beam Science, 8, 30 (2024).

Nguyen D., Milhander M.J., Hitch E.M., Cordova D.M., Gonzalez Jimenez J.L., Mora J., Sandoval D., Arguilla M.Q., Fry-Petit A.M., "Direct Correlation of the Crystalline Phases of La0.9Sr0.1Co1-yFeyO3-δ with the Partial Oxidation of Methane Via In Situ Neutron and Synchrotron Diffraction", Materials, (2024).

Paddison J., Bouaziz J., May A.F., Zhang Q., Calder S., Abernathy D.L., Staunton J.B., Blugel S., Christianson A.D., "Spin dynamics of the centrosymmetric skyrmion material GdRu2Si2", Cell Reports Physical Science, 5, 102280 (2024).

Park P., Sala G., Proffen T., Stone M.B., Christianson A.D., May A.F., "Quantum magnetism in the frustrated square lattice oxyhalides YbBi2 IO4 and YbBi2 ClO4", Physical Review B, 109, 1, 014426 (2024).

Pramanik T., Htet C.S., Manjon-Sanz A., Liu J., Ullah S., Kong J., Babori C., Brézard-Oudot A., Daniel L., Misture S.T., Pramanick A., "An atomistic structural description of the ferrielectric polar phase involving non-coplanar cation displacements", Scripta Materialia, 256, 116426 (2024).

Riberolles S.X., Han T., Slade T.J., Wilde J.M., Sapkota A., Tian W., Zhang Q., Abernathy D.L., Sanjeewa L.D., Bud'ko S.L., Canfield P.C., McQueeney R.J., Ueland B.G., "New insight into tuning magnetic phases of RMn6Sn6 kagome metals", npj Quantum Materials, 9, 42 (2024).

Roh J., Kim H., Lee H., Bu H., Manjon-Sanz A., Kim H., Hong S.T., "Unraveling Polymorphic Crystal Structures of Li4SiS4 for All-Solid-State Batteries: Enhanced Ionic Conductivity via Aliovalent Sb Substitution", Chemistry of Materials, 36, 6973–6984 (2024).

Schneeloch J.A., Liu S., Balachandran P.V., Zhang Q., Louca D.A., "Helimagnetism in the candidate ferroelectric CrI2", Physical Review B, 109, 14, 144403 (2024).

Shikhaliev P., Hannan B.W., Diawara Y., Funk L.L., Sedov V.N., Kirkham M.J., Visscher T., "Large area position sensitive detector for thermal neutrons", Nuclear Instruments and Methods in Physics Research Section A, 1065, 169569 (2024).

Surta T.W., Keeney L., Manjon-Sanz A., Crawford C., Morscher A., Daniels L., Claridge J.B., Bell A.J., Alaria J., Rosseinsky M.J., "Separation of K+ and Bi3+ displacements in a Pb-free, monoclinic piezoelectric at the morphotropic phase boundary", Acta Materialia, 265, 119594 (2024).

Sweers M.E., Liu T., Shen J., Lu B., Freeland J.W., Wolverton C., Aviles G., Seitz L., "Synthesis and symmetry of perovskite oxynitride CaW(O,N)3", Materials Horizons, 11, 4104-4114 (2024).

Sweet T.F., "Exploring Actinide Bonding and Crystal Chemistry in Acidic Media with Borate, Sulfate, Phosphate, and Arsenate Ligands", Ph.D. Dissertation, Notre Dame College (2024).

Thoma H., Dutta R., Hutanu V., Granata V., Fittipaldi R., Zhang Q., Lynn J.W., Cermak P., Khan N., Nandi S., Angst M., "Multiferroic quantum material Ba2Cu1-xMnxGe2O7 (0≤x≤1) as a potential candidate for frustrated Heisenberg antiferromagnet", npj Quantum Materials, 9, 58 (2024).

Verma A., Li J., Ramirez A.P., Subramanian M.A., "Understanding color variation with site distribution in inverse spinel structure via neutron diffraction, Magnetism, and optical studies", Progress in Solid State Chemistry, 74, 100455 (2024).

Von R., "Electronic angle focusing for neutron time-of-flight powder diffractometers", Journal of Applied Crystallography, 57, 1588-1597 (2024).

Wang Y., Bazak J.D., Zhou L., Zhang Q., Singh B., Nazar L.F., "Liquid-like solid-state diffusion of lithium ions in super-halide-rich argyrodite", Cell Reports Physical Science, (2024).

Wu H., Zhang L., Ren W., Zhang Q., Gao F., An M., Li B., Zhang Z., "Transition from an incommensurate spin density wave to a commensurate magnetic order in a triangular lattice compound Ho2PdAl6Ge4", Journal of Alloys and Compounds, 998, 174975 (2024).

Yadav M., Kumar L.S., Kumar K., Das D., Zhang Q., Rath C., "Evidence of Spin Reorientation from \u03934 to \u03932 and Sign Reversal Exchange Bias in CeCrO3 Nanoparticles", Physica Status Solidi B, (2024).

Yang T.H., Gao S., Zhang Y., Olds D., Meier W.R., Stone M.B., Sales B.C., Christianson A.D., Zhang Q., "Simultaneous Development of Antiferromagnetism and Local Symmetry Breaking in a Kagome Magnet (Co0.45Fe0.55)Sn", Journal of American Chemical Society, (2024).

Yu B., Huang L., Li J.S., Lin L., Garlea V.O., Zhang Q., Zou T., Peng J., Tang Y.S., Zhou G., Zhang J.C., Zhang J.H., Zheng S.H., Liu M.F., Yan Z.B., Zhou X.H., Dong S., Wan J.G., Liu J.M., "Magnetic structure and magnetoelectric coupling in the antiferromagnet Co5 (Te O3)4 Cl2", Physical Review B, 109, 18, 184106 (2024).

Yu Z., Zhou K., Hou X., Chen X., Tao Z., Ye Y., Xia W., Li Z., Zhao J., Wu W., Liu Z., Wang X., Yu N., Cheng J.G., Luo J.L., Zhang Q., et al. ., "Noncentrosymmetric Nowotny Chimney Ladder Ferromagnet Cr4Ge7 with a High Curie Temperature of \u223c207 K", Chemistry of Materials, 36, 7656–7664 (2024).

Zhang Q., Guan Y., Cheng Y.Q., Min L.J., Keum J.K., Mao Z.Q., Stone M.B., "Structure and lattice excitations of the copper substituted lead oxyapatite Pb 9.06 (7) Cu 0.94 (6) (PO 3.92 (4))6 O 0.96 (3)", Physical Review Materials , 8, 1, 014605 (2024).

Zhang Y., Dun Z.L., Cai Y.Q., Xing C., Cui Q., Muniraju N.K., Zhang Q., Li Y., Cheng J.G., Zhou H.D., "Local distortion driven magnetic phase switching in pyrochlore Yb2 (Ti1-x Snx)2 O7", Physical Review B, 109, 14, 144407 (2024).

2023 66 Publications

Bahrami F., "Tuning the Low-Energy Physics in Kitaev Magnets", Ph.D. Dissertation, Boston College (2023).

Brahmbhatt T., "The Synthesis and Optimization of Sulfide and Halide Solid Electrolytes for All Solid-State Batteries ", Ph.D. Dissertation, University of Tennessee (2023).

Brown A.J., Avdeev M.V., Manjon-Sanz A., Brand H.E., Ling C.D., "Competing Magnetic Interactions and the Role of Unpaired 4f Electrons in Oxygen-Deficient Perovskites Ba3RFe2O7.5 (R = Y, Dy)", Inorganic Chemistry, 62, 6786-6793 (2023).

Carnevali V., Mukherjee S., Voneshen D.J., Maji K., Guilmeau E., Powell A.V., Vaqueiro P., Fornari M., "Lone Pair Rotation and Bond Heterogeneity Leading to Ultralow Thermal Conductivity in Aikinite", Journal of the American Chemical Society, 146, 16, 9313-9325 (2023).

Chen S., "Study of phonon engineering using neutron scattering", Ph.D. Dissertation, University of California Riverside (2023).

da Cruz Pinha Barbosa V., Das S., Saha-Dasgupta T., Woodward P.M., "The Magnetism of Nonstoichiometric Sr2Cr1+xRe1-xO6 (0 < x < 0.5) Double Perovskites", Inorganic Chemistry, 62, 21353–21363 (2023).

Dhital C., Dally R., Ruvalcaba R., Gonzalez-Hernandez R., Guerrero-Sanchez J., Cao H.B., Zhang Q., Tian W., Wu Y., Frontzek M., Karna S.K., Meads A., Wilson B., Chapai R., Graf D., Bacsa J., Jin R., DiTusa J.F., "Multi-k magnetic structure and large anomalous Hall effect in candidate magnetic Weyl semimetal NdAlGe", Physical Review B, 107, 224414 (2023).

Dong X., Lin K., Yu C., Zhang W., Li W., Zhang Q., Zhang Q., Liu J., Cao Y., Xing X., "Zero thermal expansion in non-stoichiometric and single-phase (Hf,Nb)Fe2.5 alloy", Scripta Materialia, 229, 115388 (2023).

Dufault E., Bahrami F., Streeter A., Yao X., Gonzalez E., Zhang Q., Tafti F.F., "Introducing the monoclinic polymorph of the honeycomb magnet Na2Co2TeO6", Physical Review B, 108, 6, 064405 (2023).

Esteban E.T., Garcia J.J., Windover S.R., Cooley J.W., "Intrinsic thermal expansion and tunability of thermal expansion coefficient in Ni-substituted Co2 V2 O7", JPhys Materials, 6, 4, 045011 (2023).

Evans H.A., Yildirim T., Peng P., Cheng Y.Q., Deng Z., Zhang Q., Mullangi D., Zhao D., Canepa P., Breunig H.M., Cheetham A.K., Brown C.M., "Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies", Journal of the American Chemical Society, 145, 40, 22150–22157 (2023).

Feng J., Zhao L., Zhang W., Li C., Yin C., Kuang X., "Pressure-stabilized hexagonal perovskite-related isolated tetrahedral anion silicate La6Sr3Si6O24", Chinese Chemical Letters, 34, 5, 107551 (2023).

Grendal O.G., Evans D.G., Aamlid S.S., "Revisiting the structures and phase transitions of Ba2NaNb5O15", Journal of Applied Crystallography, 56, 5, 1456-1465 (2023).

Gussev I., O'Quinn E.C., Tucker M.G., Ewing R.C., Overstreet C., Neuefeind J., Everett S.M., Zhang Q., Sprouster D.J., Olds D., Baldinozzi G., Lang M., "Systematic study of short- and long-range correlations in RE3TaO7 weberite-type compounds by neutron total scattering and X-ray diffraction", Journal of Materials Chemistry A, 11, 8886-8903 (2023).

Hariyani S., Xing X., Amachraa M., Bao J., Ong S.P., Brgoch J., "Realizing Wide-Gamut Human-Centric Display Lighting with K3AlP3O9N:Eu2+", Advanced Optical Materials, 11, 2202689 (2023).

Hartel J., Banik A., Gerdes J.M., Wankmiller B., Helm B., Li C., Kraft M.A., Hansen M.R., Zeier W.G., "Understanding Lithium-Ion Transport in Selenophosphate-Based Lithium Argyrodites and Their Limitations in Solid-State Batteries", Chemistry of Materials, 35, 4798-4809 (2023).

Houben A., Meinerzhagen Y., Nachtigall N., Jacobs P., Dronskowski R., "POWTEX visits POWGEN", Journal of Applied Crystallography, 56, 633-642 (2023).

Huang Y., Zhang Q., Li Y.C., Yao Y., Hu Y., Ren S., "Chemical tuning Meets Two-Dimensional Molecular Magnets", Advanced Materials, 35, 5, 2208919 (2023).

Hulbert B.S., "An in-situ synchrotron study of low positive and negative thermal expansion ceramics", Ph.D. Dissertation, University of Illinois Urbana-Champaign (2023).

Katragadda N., Mandal P., Yanda P., Sundaresan A., Kaushik S.D., Zhang W., Halasyamani P.S., Sanz A.M., "Room temperature polar and weak-ferromagnetic oxide with low dielectric loss", Materials Science and Engineering B: Solid State Materials for Advanced Tech, 298, 116869 (2023).

Kolesnikov A.I., Krishnamoorthy A., Nomura K.I., Wu Z., Abernathy D.L., Huq A., Granroth G.E., Christe K.O., Haiges R., Kalia R.K., Nakano A., Vashishta P., "Inelastic Neutron Scattering Study of Phonon Density of States of Iodine Oxides and First-Principles Calculations", Journal of Physical Chemistry Letters, 14, 44, 10080–10087 (2023).

Kong J., Manjon-Sanz A., Liu J., Marlton F., Lo T.W., Lei D., Joergensen M.R., Pramanick A., "Scaling behavior of order parameters for the hybrid improper ferroelectric ( Ca , Sr ) 3 Ti 2 O 7", Physical Review B, 107, 224103 (2023).

Krivyakina E., "STRONGLY CORRELATED ELECTRON SYSTEMS: RARE- AND ALKALINE-EARTH MANGANESE- AND NICKEL-BASED PEROVSKITE OXIDES", Ph.D. Dissertation, University of Illinois (2023).

Krivyakina E., Poudel B., Li C., Kolesnik S., Dabrowski B., Mitchell J.F., Rosenkranz S., Chmaissem O., "Redox Properties of Hexagonal and Cubic Sr0.4Ba0.6Mn0.94Ti0.06O3-δ Investigated by In Situ Neutron Powder Diffraction", Chemistry of Materials, 35, 15, 5895-5902 (2023).

Lee K., "Synthesis, Characterization, and Electrochemistry of Vanadyl Phosphate Cathodes for High Capacity and Energy-Density Lithium-Ion Batteries", Ph.D. Dissertation, Binghamton University (2023).

Lee K., Zhou H., Zuba M.J., Kaplan C., Zong Y., Qiao L., Zhou G., Chernova N.A., Liu H., Whittingham M.S., "Complex defect chemistry of hydrothermally-synthesized Nb-substituted β′-LiVOPO4", Journal of Materials Chemistry A, 11, 10834-10849 (2023).

Lefton J.B., Liu W., McGuire C., Lv B., Brown C.M., Klein R.A., Runcevski T., "Synthesis, structure and canted antiferromagnetism of layered cobalt hydroxide sorbate", Journal of Physics and Chemistry of Solids, 182, 111568 (2023).

Li H., Roy I., Starczewski M., Freeland J.W., Cabana J., "X-ray Absorption Spectroscopy Illustrates the Participation of Oxygen in the Electrochemical Cycling of Li4Mn2O", Journal of Physical Chemistry C, 127, 7913-7920 (2023).

Li T., Liou S.C., Hong S.J., Zhang Q., Mandujano H., Rodriguez E.E., "Structural modulation and spin glassiness upon oxidation in oxygen storage material LnFeMnO4+x for Ln = Y, Lu, and Yb", APL Materials, 11, 061120 (2023).

Lin K., Zhang W., Yu C., Sun Q., Cao Y., Li W., Jiang S.H., Li Q., Zhang Q., An K., Chen Y., Yu D., Liu J., Kato K., Gu L., Kuang X., Tang Y., Miao J., Xing X., "Chemical heterogeneity modulated zero thermal expansion alloy over super-wide temperature range", Cell Reports Physical Science, 4, 101254 (2023).

Ma Y., Li C., Guo L., Lu W., Cheng Y.Q., Han X.D., Li J., Crawshaw D., He M., Shan L., Lee D., Silva I., Manuel P., Ramirez-Cuesta A.J., Schroder M., Yang S., "Exceptional capture of methane at low pressure by an iron-based metal-organic framework", Chemistry - A European Journal, 30, 20, e202303934 (2023).

Mandujano H., Metta A., Barisic N., Zhang Q., Tabis W., Muniraju N.K., Nair H.S., "Sawtooth lattice multiferroic BeCr2O4 : Noncollinear magnetic structure and multiple magnetic transitions", Physical Review Materials , 7, 024422 (2023).

Mandujano H., Tafere M.S., Chogondahalli Muniraju N.K., Creason T.D., McWhorter T.M., Gofryk K., Heitmann T.W., Zhang Q., Saparov B., Nair H.S., "Magnetic structures and excitations in sawtooth olivine chalcogenides Mn$_2$Si$X_4$ ($X$ = S, Se)", Dalton Transactions, 52, 5652-5662 (2023).

McGuire M.A., Clements E.M., Zhang Q., Okamoto S., "Double-Layer Kagome Metals Pt3Tl2 and Pt3In2", Crystals, 13, 833 (2023).

Messegee Z.T., Cho J.S., Craig A.J., Garlea V.O., Xin Y., Kang C., Proffen T., Bhandari H., Kelly J.C., Ghimire N.J., Aitken J.A., Jang J.I., Tan X., "Multifunctional Cu2TSiS4 (T = Mn and Fe): Polar Semiconducting Antiferromagnets with Nonlinear Optical Properties", Inorganic Chemistry, 62, 530-542 (2023).

Moseley D.H., Bridges C.A., Daemen L.L., Zhang Q., McGuire M.A., Cakmak E., Hermann R.P., "Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature", Crystals, 13, 752 (2023).

Pagnareach T., "Comprehensive Studies of Magnetic Properties of Metal-Organic Frameworks and Molecular Compounds", Ph.D. Dissertation, The University of Tennessee (2023).

Parui K., Lee A.L., Gandhi S., Butala M.M., "R-Nb2O5 has an 'idealized' V2O5 structure and Wadsley-Roth-like structural stability during Li-ion battery cycling", Journal of Materials Chemistry A, 11, 5559-5567 (2023).

Patterson A., Elizalde-Segovia R., Wyckoff K., Zohar A., Ding P.P., Turner W.M., Poeppelmeier K.R., Narayan S.R., Clement R.J., Seshadri R., Griffith K., "Rapid and Reversible Lithium Insertion in the Wadsley-Roth-Derived Phase NaNb13O33", Chemistry of Materials, 35, 16, 6364–6373 (2023).

Plass M.A., Terban M.W., Scholz T., Moudrakovski I., Duppel V., Dinnebier R.E., Lotsch B.V., "Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li60-3xBi16+x(PS4)36", Inorganic Chemistry, 62, 10655–10664 (2023).

Powderly K.M., Zhang Q., Devlin K.P., Gui X., Ni D., Xie W., Cava R.J., "Quasi-one-dimensional Pb5 Re3 O15 : A5d realization of the Heisenberg antiferromagnetic spin-1\/2 chain", Physical Review Materials , 7, 11, 114408 (2023).

Pu Y., Moseley D.H., He Z., Pitike K.C., Manley M.E., Yan J.Q., Cooper V.R., Mitchell V., Peterson V.K., Cao P., "(Mg,Mn,Fe,Co,Ni)O: A rocksalt high-entropy oxide containing divalent Mn and Fe", Science Advances, 9, 38, (2023).

Ramos E.P., Kim N., Assoud A., Kochetkov I., Wan L., Nazar L.F., "Triggering Fast Lithium Ion Conduction in LiPS4I", ACS Materials Letters, 5, 144-154 (2023).

Roh J., Do N., Manjon-Sanz A., Hong S.T., "Li2GeS3: Lithium Ionic Conductor with an Unprecedented Structural Type", Inorganic Chemistry, 62, 39, 15856–15863 (2023).

Rowe T., "Synthesis and Characterization of Novel Piezoelectric Solid Solutions", Ph.D. Dissertation, University of Calgary (2023).

Sala G., Stone M.B., Do S., Taddei K.M., Zhang Q., Halasz G.B., Lumsden M.D., May A.F., Christianson A.D., "Structure and magnetism of the triangular lattice material YbBO3", Journal of Physics: Condensed Matter, 35, 395804 (2023).

Sanjeewa L.D., Garlea V.O., Fishman R.S., Foroughian M., Yin L., Xing J., Parker D.S., Smith Pellizzeri T.M., Sefat A.S., Kolis J.W., "Field tunable magnetic transitions of CsCo2(MoO4)2(OH): a triangular chain structure with a frustrated geometry", Materials Chemistry Frontiers, 7, 1058-1071 (2023).

Sharma S., Mardani M., Feng K., Wei K., Baumbach R.E., Zhang Q., Singh D.J., Siegrist T., "Crystal growth and magnetic structure of ternary silicide Eu Pd 3 Si 2", Physical Review Materials , 7, 023402 (2023).

Slade T.J., Sapkota A., Wilde J.M., Zhang Q., Wang L., Lapidus S., Schmidt J., Heitmann T.W., Bud'ko S.L., Canfield P.C., "Vacancy-tuned magnetism in LaMnx Sb2", Physical Review Materials , 7, 11, 114203 (2023).

Sweers M.E., "Support Materials and Anion Composition as Stimuli for Understanding the Structures, Properties, and Behavior of Electrocatalysts", Ph.D. Dissertation, Northwestern University (2023).

Tin P., Jenkins M.J., Xing J., Caci N., Gai Z., Jin R., Wessel S., Kryzstek J., Li C., Daemen L.L., Cheng Y.Q., Xue Z., "Haldane topological spin-1 chains in a planar metal-organic framework", Nature Communications, 14, 5454 (2023).

Vrublevskiy D., "Order-disorder competition in the Sc2VO5+δ system. Review and experimental pursuit of A3+2VO5 and Sc2VO5+δ-inspired solid phases", Ph.D. Dissertation, University of Manitoba (2023).

Wang W., Wang R., Zhan R., Du J., Chen Z., Feng R., Tan Y., Hu Y., Ou Y., Yuan Y., Li C., Xiao Y., Sun Y., "Probing Hybrid LiFePO4\/FePO4 Phases in a Single Olive LiFePO4 Particle and Their Recovering from Degraded Electric Vehicle Batteries", Nano Letters, 32, 16, 7253-7766 (2023).

Wang X., Yin L., Ronne A., Zhang Y., Hu Z., Tan S., Wang Q., Song B., Li M., Rong X., Lapidus S., Yang S., Hu E., Liu J., "Stabilizing lattice oxygen redox in layered sodium transition metal oxide through spin singlet state", Nature Communications, 14, 7665 (2023).

Whitfield P., "Low-temperature crystal structures of the solvent dimethyl carbonate", Powder Diffraction, 38, 100-111 (2023).

Xu M., Li Q., Song Y., Xu Y., Sanson A., Shi N., Wang N., Sun Q., Zhang Q., et al. ., "Giant uniaxial negative thermal expansion in FeZr2 alloy over a wide temperature range", Nature Communications, 14, 4439 (2023).

Xu X., Hao Y., Peng S., Zhang Q., Ni D., Yang C., Dai X., Cao H.B., Cava R.J., "Large off-diagonal magnetoelectricity in a triangular Co2+-based collinear antiferromagnet", Nature Communications, 14, 8034 (2023).

Yadav D.K., Zhang Q., Gofryk K., Nair H.S., Uma S., "Evidence of Long-Range and Short-Range Magnetic Ordering in the Honeycomb Na3Mn2SbO6 Oxide", Inorganic Chemistry, 62, 7403–7412 (2023).

Yatoo M.A., Seymour I.D., Skinner S.J., "Neutron diffraction and DFT studies of oxygen defect and transport in higher-order Ruddlesden-Popper phase materials", RSC Advances, 13, 20, 13786-13797 (2023).

Yatoo M.A., Skinner S.J., "Oxygen Transport in Higher-Order Ruddlesden-Popper Phase Materials", ECS Transactions, 111, 2405 (2023).

Zhang A., Deng K., Sheng J.M., Liu P., Kumar S., Shimada K., Jiang Z., Liu Z., Shen D., Li J., Ren J., Wang L., Zhou L., Ishikawa Y., Ohhara T., Zhang Q., McIntyre G.J., Yu D.H., Liu E., Wu L.S., Chen C., Liu Q., "Chiral Dirac Fermion in a Collinear Antiferromagnet", Chinese Physics Letters, 40, 12, 126101 (2023).

Zhang Q., Tian W., Nepal R., Huq A., Nagler S.E., DiTusa J.F., Jin R., "Polyhedral Distortions and Unusual Magnetic Order in Spinel FeMn2O4", Chemistry of Materials, 35, 2330-2341 (2023).

Zhang X., Butenko D., Gao L., Ye X., Hong B., Han S., Xia W., Wang S., Sun Y., Zhao Y., Zhu J., "Synergistic Ion Diffusion in Lithium Titanium Phosphate Conductors: A Tale from Solo to Ensemble", Chemistry of Materials, 35, 4541-4548 (2023).

Zhang Y., Liu J., Tucker M.G., "Lorentz factor for time-of-flight neutron Bragg and total scattering", Acta Crystallographica Section A, A79, 20-24 (2023).

Zhou L., Zuo T.T., Li C., Zhang Q., Janek J., Nazar L.F., "Li3-xZrx(Ho\/Lu)1-xCl6 Solid Electrolytes Enable Ultrahigh-Loading Solid-State Batteries with a Prelithiated Si Anode", ACS Energy Letters, 8, 3102–3111 (2023).

Zhou Y., Watts J.L., Li C., Fahrenholtz W.G., Hilmas G.E., "Vacancy Ordering in Zirconium Carbide with Different Carbon Contents", Journal of the European Ceramic Society, 43, 5814-5821 (2023).

2022 73 Publications

Berry T., Bernier S., Auffermann G., McQueen T.M., Phelan W.A., "Laser floating zone growth of SrVO3 single crystals", Journal of Crystal Growth, 583, 126518 (2022).

Berry T., Fry-Petit A.M., Sinha M., Zhang Q., Auffermann G., McQueen T.M., Rudin S.P., Phelan W.A., "The Role of Phonons and Oxygen Vacancies in Non-Cubic SrVO3", Inorganic Chemistry, 61, 3007-3017 (2022).

Chen Y., An K., "Unraveling transition-metal-mediated stability of spinel oxide via in situ neutron scattering", Journal of Energy Chemistry, 68, 60-70 (2022).

Converse E.S., King G., Li J., Subramanian M.A., "Bond valence sum analysis of pyrochlore oxides including the novel dielectric Te6+ pyrochlores: ABiMTeO7-y (A = Cd, Ca; M = Cr, Ga, Sc, In, Fe)", Progress in Solid State Chemistry, 68, 100378 (2022).

Corlett C.A., Frontzek M., Obradovic N., Watts J.L., Fahrenholtz W.G., "Mechanical Activation and Cation Site Disorder in MgAl2O4", Materials, 15, 18, 6422 (2022).

da Cruz Pinha Barbosa V., Xiong J., Tran P.M., McGuire M.A., Yan J.Q., Warren M.T., Aguilar R.V., Zhang W., Randeria M., Trivedi N., Haskel D., Woodward P.M., "The Impact of Structural Distortions on the Magnetism of Double Perovskites Containing 5d1 Transition-Metal Ions", Chemistry of Materials, 34, 3, 1098–1109 (2022).

Day R., "Synthesis and Characterisation Through Diffraction Techniques of Two Stable Cubic MAPbI3 Photovoltaic Perovskite Phases", Master's Thesis, University of Kent (2022).

Dhital C., Dally R., Pham D., Keen T., Zhang Q., Siwakoti P., Nepal R., Jin R., Rai R., "Magnetic structure of magnetoelectric multiferroic HoFeWO6", Journal of Magnetism and Magnetic Materials, 544, 168725 (2022).

Dissanayaka Mudiyanselage R.S., Zhang Q., Marshall M., Croft M., Shu Z., Kong T., Xie W., "Spin Reorientation in Antiferromagnetic MnPd5Se with an Anti-CeCoIn5 Structure Type", Inorganic Chemistry, 61, 3981-3988 (2022).

Gamage E.H., Kamali S., Clark J.K., Lee Y.B., Yox P., Shafer P., Yaroslavtsev A.A., Ke L., Shatruk M., Kovnir K., "As-Se Pentagonal Linkers to Induce Chirality and Polarity in Mixed-Valent Fe-Se Tetrahedral Chains Resulting in Hidden Magnetic Ordering", Journal of the American Chemical Society, 144, 11283-11295 (2022).

Gao F., Sheng J.M., Ren W., Zhang Q., Luo X., Qi J., Cong M., Li B., Wu L.S., Zhang Z., "Incommensurate spin density wave and magnetocaloric effect in the metallic triangular lattice Ho Al 2 Ge 2", Physical Review B, 106, 134426 (2022).

Garlea V.O., Calder S., Huegle T., Lin J.Y., Islam F.F., Stoica A.D., Graves V.B., Frandsen B.A., Wilson S.D., "VERDI: VERsatile DIffractometer with wide-angle polarization analysis for magnetic structure studies in powders and single crystals", Review of Scientific Instruments, 93, 065103 (2022).

Ge H., Huang C.J., Zhang Q., Zhao N., Yang J., Wang L., Fu Y., Zhang L., Song Z., Li T.T., Ding F., Xu J.B., Zhang Y.F., Tong X., Wang S., Mei J.W., Podlesnyak A., Wu L., Chen G., Sheng J.M., "Interplay of itinerant electrons and Ising moments in a hybrid honeycomb quantum magnet TmNi3Al9", Physical Review B, 106, 054434 (2022).

Ge H., Zhang L., Zhao N., Yang J., Wang L., Zhou L., Fu Y., Li T.T., Song Z., Ding F., Xu J.B., Zhang Y.F., Wang S., Mei J.W., Tong X., Miao P., He H., Zhang Q., Wu L., Sheng J.M., "Successive magnetic orderings in the Ising spin chain magnet DyNi 5 Ge 3", Physical Review Materials , 6, 085001 (2022).

Ghosh K., "Synthesis and structure-property relationship of mullite-type oxides", Ph.D. Dissertation, University of Bremen (2022).

Ghosh K., Murshed M.M., Frederichs T., Muniraju N.K., Gesing T.M., "Structural, vibrational, thermal and magnetic properties of mullite-type NdMnTiO5 ceramic", Journal of the American Ceramic Society, 105, 4, 2702-2712 (2022).

Gurieva G., Rotaru V., Ernits K., Siminel N., Manjon-Sanz A., Kirkham M.J., Perez-Rodriguez A., Guc M., Meissner D., Schorr S., "To grind or not to grind? The influence of mechanical and thermal treatments on the Cu\/Zn disorder in Cu2ZnSn(SxSe1-x)4 monograins", Solar Energy Materials and Solar Cells, 248, 112009 (2022).

Haddock J.W., Barton Z.J., Feng K., Baumbach R.E., Zhang Q., Latturner S.E., "Flux Growth of Cerium Nickel Gallides Studied by In Situ Neutron Diffraction", Inorganic Chemistry, 61, 39, 15645–15653 (2022).

Haddouch M.A., Abboushi N., Sharma N., Eich A., Grzechnik A., Li C., Tolkiehn M., Alsamamra H., Voigt J., Friese K., "Site dependence of the magnetocaloric effect in Mn5-xFexSi3", Journal of Applied Crystallography, 55, 1164-1172 (2022).

Helm B., Gronych L.M., Banik A., Lange M.A., Li C., Zeier W.G., "Investigating the Li+ substructure and ionic transport in Li10GeP2-xSbxS12 (0 ≤ x ≤ 0.25)", Physical Chemistry Chemical Physics, 25, 1169-1176 (2022).

Helm B., Minafra N., Wankmiller B., Agne M.T., Li C., Senyshyn A., Hansen M.R., Zeier W.G., "Correlating Structural Disorder to Li+ Ion Transport in Li4-xGe1-xSbxS4 (0 ≤ x ≤ 0.2)", Chemistry of Materials, 34, 5558-5570 (2022).

Hogrefe K., Minafra N., Hanghofer I., Banik A., Zeier W.G., Wilkening H.M., "Opening Diffusion Pathways through Site Disorder: The Interplay of Local Structure and Ion Dynamics in the Solid Electrolyte Li6+xP1-xGexS5I as Probed by Neutron Diffraction and NMR", Journal of the American Chemical Society, 144, 1795-1812 (2022).

Holzapfel N.P., "Exploring the Electronic and Magnetic Properties of Low Dimensional Hybrid Transition Metal Halide Perovskite Derivatives", Ph.D. Dissertation, Ohio State University (2022).

Htet C.S., Manjon-Sanz A., Liu J., Kong J., Marlton F., Nayak S., Jorgensen M., Pramanick A., "Effect of Local Structural Distortions on Antiferroelectric-Ferroelectric Phase Transition in Dilute Solid Solutions of KxNa1-xNbO3", Inorganic Chemistry, 50, 20277-20287 (2022).

Htet C.S., Nayak S., Manjon-Sanz A., Liu J., Kong J., Soerensen D.R., Marlton F., Joergensen M.R., Pramanick A., "Atomic structural mechanism for ferroelectric-antiferroelectric transformation in perovskite NaNbO 3", Physical Review B, 105, 174113 (2022).

Hu Y., Gottfried J.L., Pesce-Rodriguez R., Wu C.C., Walck S.D., Liu Z., Balakrishnan S., Broderick S., Guo Z., Zhang Q., An L., Adlakha R., Nouh M., Zhou C., Chung P.W., Ren S., "Releasing chemical energy in spatiallyprogrammed ferroelectrics", Nature Communications, 13, 6959 (2022).

Huey W.L., Ochs A.M., Williams A.J., Zhang Y., Kraguljac S., Deng Z., Moore C.E., Windl W., Lau C.N., Goldberger J.E., "CrxPt1-xTe2 (x ≤ 0.45): A Family of Air-Stable and Exfoliatable van der Waals Ferromagnets", ACS Nano, 16, 3852-3860 (2022).

Imer M.R., Suescun L., Rabuffetti F.A., "Structure of triple perovskite BaSr2MgTa2O9 revisited", Journal of Solid State Chemistry, 306, 122710 (2022).

Jacobs J., "Synthesis and investigation of highly fluoridated Ruddlesden popper oxyfluorides and characterization of the fluoridation reaction by in situ X-ray diffraction", Ph.D. Dissertation, Martin Luther University Halle Wittenberg (2022).

James A., "Discovery of novel metal oxynitride photocatalysts using combinations of in-situ X-ray diffraction and crystal structure prediction", Ph.D. Dissertation, State University of New York at Stony Brook (2022).

Jin L., Ni D., Gui X., Straus D.B., Zhang Q., Cava R.J., "Ferromagnetic Double Perovskite Semiconductors with Tunable Properties", Advanced Science, 9, 2104319 (2022).

Jin L., Ni D., Gui X., Straus D.B., Zhang Q., Cava R.J., "Magnetic cations doped into a double perovskite semiconductor", Journal of Materials Chemistry C, 10, 3232-3240 (2022).

Kademane A.B., "Investigation of crystal field, magnetic frustration and magnetization reversal effects in 4f and 3d oxides", Ph.D. Dissertation, University of Stavanger (2022).

Kademane A.B., Bhandari C., Paudyal D., Cottrell S., Das P., Liu Y., Yiu Y., Kumar C.M., Siemensmeyer K., Hoser A., Quintero-Castro D.L., Vaknin D., Toft-Petersen R., "Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co 2 VO 4", Physical Review B, 105, 094408 (2022).

Karigerasi M.H., Kang K., Huang J., Peterson V.K., Rule K.C., Studer A.J., Schleife A., Huang P.Y., Shoemaker D.P., "High-resolution diffraction reveals magnetoelastic coupling and coherent phase separation in tetragonal CuMnAs", Physical Review Materials , 6, 094405 (2022).

Koskelo E.C., Kelly N.D., Nagle-Cocco L.A., Bocarsly J.D., Mukherjee P., Liu C., Zhang Q., Dutton S.E., "Magnetic and Magnetocaloric Properties of the A2LnSbO6 Lanthanide Oxides on the Frustrated fcc Lattice", Inorganic Chemistry, 62, 10317–10328 (2022).

Li H., Taudul B., Alexander G.C., Liu J., Freeland J.W., Doublet M.L., Cabana J., "Access to Ru(IV)-Ru(V) and Ru(V)-Ru(VI) Redox in Layered Li7RuO6 via Intercalation Reactions", Chemistry of Materials, 34, 8, 3724–3735 (2022).

Li T., Jayathilake R.S., Balisetty L., Zhang Y., Wilfong B., Diethrich T.J., Rodriguez E.E., "Crystal Field-induced Lattice Expansion upon Reversible Oxygen Uptake\/Release in YbMnxFe2-xO4", Materials Advances, 3, 2, 1087-1100 (2022).

Li Y., "Diagnosis and Optimization of High Voltage Cathode Materials and Electrolyte for Next Generation Li-ion Batteries", Ph.D. Dissertation, University of California San Diego (2022).

Liu J., Lu S., Wang Y., Li C., Ming X., Kuang X., "High Dielectric Permittivity of α-NaFeO2-Type Layered Nitrides", Chemistry of Materials, 34, 4505-4513 (2022).

Ma Q., "Neutron Scattering Studies of the Family of High Temperature Superconducting Cuprates La1.6-xN d0.4SrxCuO4", Ph.D. Dissertation, McMaster University (2022).

Male J.P., "Defect Engineering for More Reliable and Efficient PbTe-Based Thermoelectric Materials", Ph.D. Dissertation, Northwestern University (2022).

Messegee Z.T., Gall P., Bhandari H., Siegfried P.E., Kang C., Conti C.R., Chen B., Chen B., Croft M., Zhang Q., Qadri S.N., Prestigiacomo J., Ghimire N.J., Gougeon P., Tan X., "LiMo8O10: Polar Crystal Structure with Infinite Edge-Sharing Molybdenum Octahedra", Inorganic Chemistry, 61, 35, 13924–13932 (2022).

Minuddin M., "Connection between Structure and Physical Properties of Prussian Blue Analogues", Ph.D. Dissertation, New Mexico State University (2022).

Munirathnappa A.K., Aranthady C., Kulal A., Kumar Maurya S., Kumar K., Nayak S., Cheol Lee S., Sundaram N.G., "Synthesis, Neutron Diffraction, and DFT Studies of NaLa(WO4)2: Yb3+\/Er3+; NIR Induced Green Fluorescent Bifunctional Probes for In Vitro Cell Imaging and Solid State Lighting", Chemistry Select, 7, e202104581 (2022).

Nagase T., Nishikubo T., Fukuda M., Sakai Y., Shigematsu K., Ikeda Y., Nambu Y., Zhang Q., Matsuda M., Mibu K., Azuma M., Yamamoto T., "SrV0.3Fe0.7O2.8: A Vacancy-Ordered Fe-Based Perovskite Exhibiting Room-Temperature Magnetoresistance", Inorganic Chemistry, 61, 8987-8991 (2022).

O'Donnell S., Smith A., Carbone A., Maggard P.A., "Structure, Stability, and Photocatalytic Activity of a Layered Perovskite Niobate after Flux-Mediated Sn(II) Exchange", Inorganic Chemistry, 61, 4062-4070 (2022).

Osmundsen R., "New Insights on the Work Hardening Mechanisms of Ordered Alloys with Special Attention to Antiphase Boundary Tubes", Ph.D. Dissertation, Dartmouth College (2022).

Pastoor K.J., Miskowiec A., Niedziela J., Christian J.H., Foley B.J., Isbill S., Shields A.E., Manjon-Sanz A., Nykwest E., Spano T.L., Wellons M.S., Shafer J.C., Jensen M.P., "Structural Characterization of Uranium Tetrafluoride Hydrate (UF4·2.5H2O)", Journal of Physical Chemistry C, 126, 13256-13267 (2022).

Pauly M., Kroger J., Duppel V., Murphey C., Cahoon J., Lotsch B.V., Maggard P.A., "Unveiling the complex configurational landscape of the intralayer cavities in a crystalline carbon nitride", Chemical Science, 13, 11, 3187-3193 (2022).

Ramos E.P., Bazak J.D., Assoud A., Huq A., Goward G., Nazar L.F., "Structure of the Solid-State Electrolyte Li3+2xP1-xAlxS4: Lithium-Ion Transport Properties in Crystalline vs Glassy Phases", ACS Applied Materials & Interfaces, (2022).

Riedel Z.W., Amerikheirabadi F., Qu K., Huang J., Gebre M.S., Bhutani A., Haasch R.T., Huang P.Y., Schleife A., Shoemaker D.P., "Structure and Magnetic Properties of Ni4V3O10, an Antiferromagnet with Three Types of Vanadium-Oxygen Polyhedra", Chemistry of Materials, 34, 4721-4731 (2022).

Sales B.C., Meier W.R., Parker D.S., Yin L., Yan J.Q., May A.F., Calder S., Aczel A.A., Zhang Q., Li H., Yilmaz T., Vescovo E., Miao H., Moseley D.H., Hermann R.P., McGuire M.A., "Chemical Control of Magnetism in the Kagome Metal CoSn1 - xInx: Magnetic Order from Nonmagnetic Substitutions", Chemistry of Materials, 34, 15, 7069-7077 (2022).

Sarkar A., Eggert B., Witte R., Lill J., Velasco L., Wang Q., et al. ., "Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of (CoCrFeMnNiO: Unraveling the suppression of configuration entropy in high entropy oxides", Acta Materialia, 226, 117581 (2022).

Saura-Muzquiz M., Marlton F., Mullens B.G., Manjon-Sanz A., Neuefeind J., Everett S.M., Brand H.E., Mondal S., Vaitheeswaran G., Kennedy B.J., "Understanding the Re-entrant Phase Transition in a Non-magnetic Scheelite", Journal of the American Chemical Society, 144, 34, 15612–15621 (2022).

Schneeloch J.A., Tao Y., Cheng Y.Q., Daemen L.L., Xu G., Zhang Q., Louca D.A., "Gapless Dirac magnons in CrCl3", npj Quantum Materials, 7, 66 (2022).

Singh K., Yang H., Zhang Z., Avdeev M.V., Huq A., Wu D., Lee J., Kan W.H., Thangadurai V., "Evaluation of polymorphism and charge transport in a BaO-CaO-Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy", Journal of Materials Chemistry A, 10, 22257-22270 (2022).

Stadel R., Khalyavin D., Manuel P., Yokoyama K., Lapidus S., Christensen M.H., Fernandes R.M., Phelan D., Chung D.Y., Osborn R., Rosenkranz S., Chmaissem O., "Multiple magnetic orders in LaFeAs1-xPxO uncover universality of iron-pnictide superconductors", Communications Physics, 5, 146 (2022).

Strandbakke R., Wragg D.S., Sorby M., Guzik M.N., Gunnaes A.E., Szpunar I., Wachowski S.L., Balaguer M., Carvalho P.A., Mielewczyk-Gryn A., Serra J.M., Norby T.E., "Structural properties of mixed conductor Ba1-xGd1-yLax+yCo2O6-δ", Dalton Transactions, 51, 18667 (2022).

Strauss F., Lin J., Duffiet M., Wang K., Zinkevich T., Hansen A.L., Indris S., Brezesinski T., "High-Entropy Polyanionic Lithium Superionic Conductors", ACS Materials Letters, 4, 2, 418–423 (2022).

Sun H., Hu A., Spence S., Kuai C., Hou D., Mu L., Liu J., Li L., Sun C.J., Sainio S., Nordlund D., Luo W., Huang Y., Lin F., "Tailoring Disordered\/Ordered Phases to Revisit the Degradation Mechanism of High-Voltage LiNi0.5Mn1.5O4 Spinel Cathode Materials", Advanced Functional Materials, 32, 2112279 (2022).

Tafere M.S., "Magnetic Structures of Sawtooth Olivines Mn2SiX4 (X = S, Se) Determined Through Neutron Powder Diffraction", Master's Thesis, University of Texas at El Paso (2022).

Tao R., Zhang T., Tan S., Jafta C.J., Li C., Liang J., Sun X.G., Wang T., Fan J., Lu Z., Bridges C.A., Suo X., Do-Thanh C.L., Dai S., "Insight into the Fast-Rechargeability of a Novel Mo1.5W1.5Nb14O44 Anode Material for High-Performance Lithium-Ion Batteries", Advanced Energy Materials, 12, 2200519 (2022).

Terban M.W., Billinge S.J., "Structural Analysis of Molecular Materials Using the Pair Distribution Function", Chemical Reviews, 122, 1, 1208–1272 (2022).

Tran P.M., Evans J., Woodward P.M., "Structure and magnetism across the Sr2-xBaxNiOsO6 phase diagram: Understanding magnetic superexchange between first and third row transition metal ions", Journal of Solid State Chemistry, 317, 123667 (2022).

Valle J.M., "Abolitionist Engineering: An Autoethnographic Approach to Understanding How Abolition Can Transform Materials Science and Engineering", Ph.D. Dissertation, University of Michigan (2022).

Wang H., "Magnetism of Novel Rare-Earth-Free Intermetallic Compounds", Ph.D. Dissertation, University of Nebraska - Lincoln (2022).

Wang H., Balasubramanian B., Liu Y., Streubel R., Pahari R., Ekanayaka T.K., Mishra E., Klewe C., Shafer P., Dhall R., Skomski R., Sellmyer D.J., Xu X., "Magnetic moments and spin structure in single-phase B20 Co1+xSi1-x (x=0.043)", Journal of Applied Physics, 131, 183902 (2022).

Zhang Q., Zhang Y., Matsuda M., Garlea V.O., Yan J.Q., McGuire M.A., Tennant D.A., Okamoto S., "Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal", Journal of the American Chemical Society, 144, 14339-14350 (2022).

Zhou L., Zhang Q., Nazar L.F., "Li-Rich and Halide-Deficient Argyrodite Fast Ion Conductors", Chemistry of Materials, 34, 9634-9643 (2022).

Zhou L., Zuo T.T., Kwok C.Y., Kim S.Y., Assoud A., Zhang Q., Janek J., Nazar L.F., "High areal capacity, long cycle life 4V ceramic all-solid-state Li-ion batteries enabled by chloride solid electrolytes", Nature Energy, 7, 83–93 (2022).

Zoghlin E., "High-pressure bulk crystal growth for scattering studies of quantum magnets", Ph.D. Dissertation, University of California Santa Barbara (2022).

Zweck U., Neibecker P.B., Muehlbauer S., Zhang Q., Chiu P.Y., Leitner M., "Magnetization reversal induced by antiphase domain boundaries in Ni 2 Mn Z Heusler compounds", Physical Review B, 106, 224106 (2022).

2021 71 Publications

Adeli P., Bazak J.D., Huq A., Goward G., Nazar L.F., "Influence of Aliovalent Cation Substitution and Mechanical Compression on Li-Ion Conductivity and Diffusivity in Argyrodite Solid Electrolytes", Chemistry of Materials, 33, 1, 146–157 (2021).

Aftab A., Chagoya K., Felix A., Blair R., Orlovskaya N., "Catalytic performance of porous Yb2O3 sesquioxide", Advances in Applied Ceramics, 120, 3, 175-186 (2021).

Amarasinghe D.K., Rabuffetti F.A., "Ratiometric Thermometry Using Thermochromic Tb3+:Mn4+:Na4Mg(WO4)3 Phosphors", Inorganic Chemistry, 60, 5, 3165–3171 (2021).

Bordelon M.M., "Magnetic frustration and quantum disorder in lanthanide-based ALnX2 materials", Ph.D. Dissertation, University of California Santa Barbara (2021).

Bordelon M.M., Bocarsly J.D., Posthuma L., Banerjee A., Zhang Q., Wilson S.D., "Antiferromagnetism and crystalline electric field excitations in tetragonal NaCeO2", Physical Review B, 103, 024430S (2021).

Bullard T.J., Susner M.A., Taddei K.M., Brant J.A., Haugan T.J., "Magnetic and structural properties of the solid solution CuAl2(1-x)Ga2xO4", Scientific Reports, 11, 11355 (2021).

Cao Y., Lin K., Khmelevskyi S., Avdeev M.V., Taddei K.M., Zhang Q., Huang Q.Z., Li Q., Kato K., Tang C.C., Gibbs A.S., Wang C., Deng J., Chen J., Zhang H., Xing X., "Ultrawide Temperature Range Super-Invar Behavior of R 2 ( Fe , Co ) 17 Materials ( R = Rare Earth)", Physical Review Letters, 127, 055501 (2021).

Chen D., Zhang J., Jiang Z., Wei C., Burns J., Li L., Wang C., Persson K.A., Liu Y., Chen G., "Role of Fluorine in Chemomechanics of Cation-Disordered Rocksalt Cathodes", Chemistry of Materials, 33, 7028-7038 (2021).

Chen Q., "Study on Na2x[NixTi1-x]O2 as Bi-Functional Electrode Material for Sodium-Ion Batteries", Ph.D. Dissertation, Michigan State University (2021).

Chen S., "The Formation of Iron (Hydr)oxides in Surface Environments: A Crystallographic and Kinetic Study", Ph.D. Dissertation, Pennsylvania State University (2021).

Corlett C.A., "Mechanical activation and cation site disorder of spinel-based ceramics", Master's Thesis, Missouri University of Science and Technology (2021).

Csernica P.M., Kalirai S.S., Gent W.E., Lim K., Yu Y., Liu Y., Ahn S., Kaeli E., Xu X., Stone K.H., Marshall A.F., Sinclair R., Shapiro D.A., Toney M.F., Chueh W.C., "Persistent and partially mobile oxygen vacancies in Li-rich layered oxides", Nature Energy, 6, 642–652 (2021).

Diethrich T.J., Zavalij P., Gnewuch S., Rodriguez E.E., "Orbital Contribution to Paramagnetism and Noninnocent Thiophosphate Anions in Layered Li2MP2S6 Where M = Fe and Co", Inorganic Chemistry, 60, 10280-10290 (2021).

Ding L., Xu X., Jeschke H.O., Bai X., Feng E., Alemayehu A.S., Kim J.W., Huang F., Zhang Q., Ding X., Harrison N., Zapf V.S., Khomskii D., Mazin I.I., Cheong S.W., Cao H.B., "Field-tunable toroidal moment in a chiral-lattice magnet", Nature Communications, 12, 5339 (2021).

Episcopo N., "A Study of the Frustrated Honeycomb Battery Material NA2NI2TEO6", Master's Thesis, University of Texas at El Paso (2021).

Fanah S.J., Ramezanipour F., "Symmetry Effect on the Enhancement of Lithium-Ion Mobility in Layered Oxides Li2A2B2TiO10 (A = La, Sr, Ca; B = Ti, Ta)", Journal of Physical Chemistry C, 125, 7, 3689–3697 (2021).

Forslund O.K., "1D to 3D Magnetism in Quantum Materials: A study by Muons, Neutrons & X-rays", Ph.D. Dissertation, Royal Institute of Technology (2021).

Gao S., May A.F., Du M., Paddison J., Arachchige H.S., Pokharel G., dela Cruz C., Zhang Q., Ehlers G., Parker D.S., Mandrus D., Stone M.B., Christianson A.D., "Hierarchical excitations from correlated spin tetrahedra on the breathing pyrochlore lattice", Physical Review B, 103, 214418 (2021).

Gu C., Liang Y., Zhou X., Chen J., Ma D., Qin J., Zhang W., Zhang Q., Daemen L.L., Zhao Y., Wang S., "Crystal structures and formation mechanisms of boron-rich tungsten borides", Physical Review B, 104, 014110 (2021).

Gui X., Marshall M., Dissanayaka Mudiyanselage R.S., Klein R.A., Chen Q., Zhang Q., Shelton W.A., Zhou H.D., Brown C.M., Cao H.B., Greenblatt M., Xie W., "Spin Reorientation in Antiferromagnetic Layered FePt5P", ACS Applied Electronic Materials, 3, 3501-3508 (2021).

Harmer C.P., "Solvothermal Synthesis and Characterization of Intercalated Iron-Sulfides", Ph.D. Dissertation, Iowa State University (2021).

Helm B., Schlem R., Wankmiller B., Banik A., Gautam A., Ruhl J., Li C., Hansen M.R., Zeier W.G., "Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3-xIn1-xZrxCl6 (0 ≤ x ≤ 0.5)", Chemistry of Materials, 33, 4773-4782 (2021).

Henkelis S.E., Vogel D.J., Metz P., Valdez N.R., Rodriguez M.A., Rademacher D.X., Purdy S., Percival S.J., Rimsza J.M., Page K., Nenoff T.M., "Kinetically Controlled Linker Binding in Rare Earth-2,5-Dihydroxyterepthalic Acid Metal-Organic Frameworks and Its Predicted Effects on Acid Gas Adsorption", ACS Applied Materials & Interfaces, 13, 56337-56347 (2021).

Hodge K.L., "Zintl-Klemm Phases as Heterogeneous Catalysts and New Materials Discovery", Ph.D. Dissertation, Ohio State University (2021).

Hodge K.L., Gray M.B., Windl W., Goldberger J.E., "Lucky Number 13: A 13-Layer Polytype of the Alkyne Hydrogenation Catalyst CaGaGe", Inorganic Chemistry, 60, 14530-14534 (2021).

Hogrefe K., Minafra N., Zeier W.G., Wilkening H.M., "Tracking Ions the Direct Way: Long-Range Li+ Dynamics in the Thio-LISICON Family Li4MCh4 (M = Sn, Ge; Ch = S, Se) as Probed by 7Li NMR Relaxometry and 7Li Spin-Alignment Echo NMR", Journal of Physical Chemistry C, 125, 4, 2306–2317 (2021).

Hong S., "Deep Eutectic Solvent Routes to Photoactive Metal Oxides", Ph.D. Dissertation, Iowa State University (2021).

Hu E., Li Q., Wang X., Meng F., Liu J., Zhang J.N., Page K., Xu W., Gu L., Xiao R., Li H., Huang X., Chen L., Yang W., Yu X., Yang X.Q., "Oxygen-redox reactions in LiCoO2 cathode without O-O bonding during charge-discharge", Joule, 5, 3, 720-736 (2021).

Hulbert B.S., McCormack S.J., Tseng K.P., Kriven W., "Thermal expansion and phase transformation in the rare earth di-titanate (R2Ti2O7) system", Acta Crystallographica Section B, B77, 5303-5318 (2021).

Ishii Y., Sala G., Stone M.B., Garlea V.O., Calder S., Chen J., Yoshida H., Fukuoka S., Yan J.Q., dela Cruz C., Du M., Parker D.S., Zhang H., Batista C.D., Yamaura K., Christianson A.D., "Magnetic properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5", Physical Review Materials , 5, 064418 (2021).

Jacobs J., Marques M.A., Wang H.C., Dieterich E., Ebbinghaus S.G., "Structure, Magnetism, and Thermal Stability of La2NiO2.5F3: A Ruddlesden-Popper Oxyfluoride Crystallizing in Space Group P42\/nnm", Inorganic Chemistry, 60, 13657 (2021).

Jiao J.L., Zhang H.P., Huang Q., Wang W., Sinclair R., Wang G., Ren Q.Y., Lin G.T., Huq A., Zhou H.D., Li M.Z., Ma J., "Orbital competition of Mn3+ and V3+ ions in Mn1+x V2-x O4", Journal of Physics: Condensed Matter, 33, 134002 (2021).

Jin L., Zhang Q., Cava R.J., "The hydrogen-containing bronzes H0.23WO3 and H0.10ReO3 synthesized via a polymer route", Journal of Solid State Chemistry, 297, 122059 (2021).

Kaup K., Assoud A., Liu J., Nazar L.F., "Fast Li‐Ion Conductivity in Superadamantanoid Lithium Thioborate Halides", Angewandte Chemie International Edition, 60, 13, 6975-6980 (2021).

Kaup K., Bishop K., Assoud A., Liu J., Nazar L.F., "Fast Ion-Conducting Thioboracite with a Perovskite Topology and Argyrodite-like Lithium Substructure", Journal of the American Chemical Society, 143, 18, 6952–6961 (2021).

Kim S.Y., Kaup K., Park K.H., Assoud A., Zhou L., Liu J., Wu X., Nazar L.F., "Lithium Ytterbium-Based Halide Solid Electrolytes for High Voltage All-Solid-State Batteries", ACS Materials Letters, 3, 930-938 (2021).

Klepov V.V., Pace K.A., Berseneva A.A., Felder J.B., Calder S., Morrison G., Zhang Q., Kirkham M.J., Parker D.S., zur Loye H.C., "Chloride Reduction of Mn3+ in Mild Hydrothermal Synthesis of a Charge Ordered Defect Pyrochlore, CsMn2+Mn3+F6, a Canted Antiferromagnet with a Hard Ferromagnetic Component", Journal of the American Chemical Society, 143, 11554-11567 (2021).

Li J., Wang R., Zhao W., Hou X., Paillard E., Ning D., Li C., Wang J., Xiao Y., Winter M., "A high-voltage symmetric sodium ion battery using sodium vanadium pyrophosphate with superior power density and long lifespan", Journal of Power Sources, 507, 230183 (2021).

Li Y., Zuba M.J., Bai S., Lebens-Higgins Z., Qiu B., Park S., Liu Z., Zhang M., Piper L.F., Meng Y.S., "Regeneration of degraded Li-rich layered oxide materials through heat treatment-induced transition metal reordering", Energy Storage Materials, 35, 99-107 (2021).

Male J.P., Hanus R., Snyder G.J., Hermann R.P., "Thermal Evolution of Internal Strain in Doped PbTe", Chemistry of Materials, 33, 12, 4765–4772 (2021).

Mandujano H., "Sawtooth-Based Chromate Multiferroic - Insight into Structure and Magnetism", Master's Thesis, University of Texas at El Paso (2021).

Mandujano H., Gonzalez S., Episcopo N., Sitharaman U., Poudel N., Gofryk K., Garay Y.E., Lopez J.A., Zhang Q., Calder S., Nair H.S., "Absence of long-range magnetic order in lithium-containing honeycombs in the Li-Cr-Sb(Te)-O phases", Journal of Physics: Condensed Matter, 33, 295802 (2021).

Matsuda M., Zhang D., Kuwata Y., Zhang Q., Sakurai T., Ohta H., Sugawara H., Takeda K., Hayashi J., Kotegawa H., "Noncollinear spin structure with weak ferromagnetism in NbMnP", Physical Review B, 104, 174413 (2021).

Meier W.R., Chakoumakos B.C., Okamoto S., McGuire M.A., Hermann R.P., Samolyuk G.D., Gao S., Zhang Q., Stone M.B., Christianson A.D., Sales B.C., "A Catastrophic Charge Density Wave in BaFe2Al9", Chemistry of Materials, 33, 8, 2855–2863 (2021).

Minafra N., Hogrefe K., Barbon F., Helm B., Li C., Wilkening H.M., Zeier W.G., "Two-Dimensional Substitution: Toward a Better Understanding of the Structure-Transport Correlations in the Li-Superionic Thio-LISICONs", Chemistry of Materials, 33, 2, 727–740 (2021).

Morozova P.A., Trussov I.A., Rupasov D.P., Nikitina V.A., Abakumov A.M., Fedotov S.S., "Exploring the Role of Crystal Water in Potassium Manganese Hexacyanoferrate as a Cathode Material for Potassium-Ion Batteries", Crystals, 11, 8, 895 (2021).

Nguyen L., "Frustrated Magnetism in Hexagonal Perovskites as Quantum Spin Liquid Candidates", Ph.D. Dissertation, Princeton University (2021).

Nguyen L., Saubanere M., Zhang Q., Cava R.J., "Structure, Magnetism, and First-Principles Modeling of the Na0.5La0.5RuO3 Perovskite", Chemistry of Materials, 33, 600–607 (2021).

Nguyen L., Straus D.B., Zhang Q., Cava R.J., "Widely spaced planes of magnetic dimers in the Ba6 Y2 Rh2 Ti2 O17-δ hexagonal perovskite", Physical Review Materials , 5, 3, 034419 (2021).

Pandey S.A., "Materials and Structures for the Electrodes of Solid-State Electrochemical Energy Devices", Ph.D. Dissertation, Northwestern University (2021).

Pandey S.A., Zhang C., Ibrahim D.H., Goldfine E.A., Wenderott J.K., dos Reis R., Paul R.L., Spanopoulos I., Kanatzidis M.G., Bedzyk M., Dravid V.P., Gonzalez G.B., Hail S.M., "Hidden Complexity in the Chemistry of Ammonolysis-Derived "γ-Mo2N": An Overlooked Oxynitride Hydride", Chemistry of Materials, 33, 6671-6684 (2021).

Parejiya A., Essehli R., Amin R., Liu J., Muralidharan N., Meyer III H.M., Wood D.L., Belharouak I., "Na1+xMnx\/2Zr2-x\/2(PO4)3 as a Li+ and Na+ Super Ion Conductor for Solid-State Batteries", ACS Energy Letters, 6, 429-436 (2021).

Park J., Collins B., Darago L., Runcevski T., Ziebel M., Aubrey M., Jiang H.Z., Velasquez E., Green M.A., Goodpaster J., Long J.R., "Magnetic ordering through itinerant ferromagnetism in a metal-organic framework", Nature Chemistry, 13, 594–598 (2021).

Qu Y., Arguilla M.Q., Zhang Q., He X., Dinca M., "Ultrathin, High-Aspect Ratio, and Free-Standing Magnetic Nanowires by Exfoliation of Ferromagnetic Quasi-One-Dimensional van der Waals Lattices", Journal of the American Chemical Society, 143, 46, 19551-19558 (2021).

Rai B., Pokharel G., Arachchige H.S., Do S., Zhang Q., Matsuda M., Frontzek M., Sala G., Garlea V.O., Christianson A.D., May A.F., "Complex magnetic phases in the polar tetragonal intermetallic SNdCoGe3", Physical Review B, 103, 014426S (2021).

Riberolles S.X., Zhang Q., Gordon E.E., Butch N.P., Ke L., Yan J.Q., McQueeney R.J., "Evolution of magnetic interactions in Sb-substituted MnBi2Te4", Physical Review B, 104, 064401 (2021).

Sacci R.L., Bennett T., Drews A.R., Anandan V., Kirkham M.J., Daemen L.L., Nanda J., "Phase evolution during lithium-indium halide superionic conductor dehydration", Journal of Materials Chemistry A, 9, 990-996 (2021).

Sacci R.L., McAuliffe R.D., Malkowski T.F., Kidder N., Chen X.C., Huq A., Kirkham M.J., Armstrong B.L., Daemen L.L., Veith G.M., "La2Zr2O7 Nanoparticle-Mediated Synthesis of Porous Al-Doped Li7La3Zr2O12 Garnet", Inorganic Chemistry, 60, 13, 10012–10021 (2021).

Sales B.C., Meier W.R., May A.F., Xing J., Yan J.Q., Gao S., Liu Y., Stone M.B., Christianson A.D., Zhang Q., McGuire M.A., "Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping", Physical Review Materials , 5, 044202 (2021).

Sarkis C.L., "Frustration Driven Emergent Phenomena in Quantum and Classical Magnets", Ph.D. Dissertation, Colorado State University (2021).

Sharma N., Zhang Y., Mbarki M., Scheifers J.P., Yubuta K., Kimber S.A., Fokwa B.T., "Nb6Mn1-xIr6+xB8 (x = 0.25): A Ferrimagnetic Boride Containing Planar B6 Rings Interacting with Ferromagnetic Mn Chains", Journal of Physical Chemistry C, 125, 24, 13635–13640 (2021).

Sretenovic M., Okamoto S., Peiker G., Tang T.X., Zhang H.D., Xu C.Q., Heitmann T.W., Zhang Q., dela Cruz C., Ke X., "Competing energetic states in γ - Fe 2 W O 6 with strong spin-charge-lattice coupling", Physical Review B, 104, 134413 (2021).

Stadel R., "Experimental Exploration of Shared Magnetic Phases Between Diverse Systems of Iron-Pnictide Superconductors", Ph.D. Dissertation, Northern Illinois University (2021).

Ude S.N., Rawn C.J., Meek T.T., "The Crystal Chemistry and Electrical properties of Fe doped Ca12Al14O33 (Mayenite)", Nigerian Journal of Technology, 40, 4, 591 –597 (2021).

Voskanyan A.A., Lilova K.I., McCormack S.J., Kriven W., Navrotsky A., "A new class of entropy stabilized oxides: Commensurately modulated A6B2O17 (A = Zr, Hf; B = Nb, Ta) structures", Scripta Materialia, 204, 114139 (2021).

Vrublevskiy D., Lussier J.A., Panchuk J.R., Mauws C., Beam J.C., Wiebe C.R., Grosvenor A.P., Bieringer M., "Understanding the Interplay of Vacancy, Cation, and Charge Ordering in the Tunable Sc2VO5+δ Defect Fluorite System", Inorganic Chemistry, 60, 2, 872–882 (2021).

Xu X., Huang F., Qi Y., Singh S., Rabe K.M., Obeysekera D., Yang J., Chu M., Cheong S.W., "Kinetically stabilized ferroelectricity in bulk single-crystalline HfO2:Y", Nature Materials, 20, 826–832 (2021).

Yin C., Wei Z., Zhang M., Qiu B., Zhou Y., Xiao Y., Zhou D., Yun L., Li C., Gu Q., Wen W., Li X., Wen X., Shi Z., He L., Meng Y.S., Liu Z., "Structural insights into composition design of Li-rich layered cathode materials for high-energy rechargeable battery", Materials Today, 51, 15-26 (2021).

Zhang Q., Okamoto S., Samolyuk G.D., Stone M.B., Kolesnikov A.I., Xue R., Yan J.Q., McGuire M.A., Mandrus D., Tennant D.A., "Unusual Exchange Couplings and Intermediate Temperature Weyl State in Co 3 Sn 2 S 2", Physical Review Letters, 127, 117201 (2021).

Zhang X., Li C., Liu W., Oh T.S., Fergus J.W., "The role of Li site occupancy on the Li-ion conductivity of Ta-doped Li6.75La3Zr1.75Ta0.25O12 solid electrolyte materials with high Li concentrations", Solid State Ionics, 369, 115713 (2021).

Zhou L., "Lithium Ion Conducting Inorganic Solid Electrolytes and All Solid-State Lithium Batteries", Ph.D. Dissertation, University of Waterloo (2021).

2020 62 Publications

Adekoya A.J., "The Crystal Structure of (CuxZn1-x)0.456In1.084Ge0.46O3 (CuZIGO) Using Neutron and X-Ray Diffraction", Master's Thesis, DePaul University (2020).

Admasu A.S., "Synthesis of Complex Oxides,Optimized for the Study of Novel Structural and Magnetic Properties", Ph.D. Dissertation, Rutgers University (2020).

Alfailakawi A., "A structural study of correlated materials: incipient mott insulators and low-dimensional systesm.", Ph.D. Dissertation, University of Louisville (2020).

Amarasinghe D.K., "Mn4+ and Rare‐Earth‐Activated Group V and Vi Metal Oxides as Thermosensitive Phosphors", Ph.D. Dissertation, Wayne State University (2020).

Bai J., Sun W., Zhao J., Wang D., Xiao P., Ko J.Y., Huq A., Ceder G., Wang F., "Kinetic Pathways Templated by Low-Temperature Intermediates during Solid-State Synthesis of Layered Oxides", Chemistry of Materials, 32, 23, 9906–9913 (2020).

Basu T., Wei F.Y., Zhang Q., Fang Y., Ke X., "Complex magnetic structure in Ba5Ru3O12 with isolated Ru3O12 trimer", Physical Review Materials , 4, 114401 (2020).

Baxter S.J., "Control of thermal expansion, behavior on compression, and guest loading in framework materials", Ph.D. Dissertation, Georgia Institute of Technology (2020).

Case D., McSloy A.J., Sharpe R., Yeandel S.R., Bartlett T., Cookson J., Dashjav E., Tietz F., Kumar C.M., Goddard P., "Structure and ion transport of lithium-rich Li1+xAlxTi2-x(PO4)3 with 0.3<x<0.5: A combined computational and experimental study", Solid State Ionics, 346, 115192 (2020).

Cladek B., "Local Structure and Dynamic Studies of mixed CH4-CO2 Gas Hydrates via Computational Simulation and Neutron Scattering", Ph.D. Dissertation, The University of Tennessee, Knoxville (2020).

Clark J.K., Tan X., Garlea V.O., Arico A.A., Ramirez A.P., Yannello V., Thompson C.M., Kovnir K., Shatruk M., "Reentrant spin glass state induced by structural phase transition in La0.4Ce0.6Co2P2", Physical Review Materials , 4, 074412 (2020).

Converse E.S., Li J., Mullins A.C., LaBarre P.G., Ramirez A.P., Subramanian M.A., "Influence of Alkaline-Earth-Metal Substitutions on the Bismuth Ruthenate Structure: Bi2-xA′xRu2O6O′1-y (A′ = Mg, Ca, Sr)", Inorganic Chemistry, 59, 14141-14151 (2020).

Cooley J.W., Bocarsly J.D., Schueller E.C., Levin E.E., Rodriguez E.E., Huq A., Lapidus S., Wilson S.D., Seshadri R., "Evolution of noncollinear magnetism in magnetocaloric MnPtGa", Physical Review Materials , 4, 044405 (2020).

Culver S.P., Squires A.G., Minafra N., Armstrong C.W., Krauskopf T., Bocher F., Li C., Morgan B.J., Zeier W.G., "Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1-xSnxP2S12", Journal of the American Chemical Society, 142, 50, 21210–21219 (2020).

Dhital C., Pham D., Lawal T., Bucholz C., Poyraz A., Zhang Q., Nepal R., Jin R., Rai R., "Crystal and magnetic structure of polar oxide HoCrWO6", Journal of Magnetism and Magnetic Materials, 514, 167219 (2020).

Dragomir M., Ma Q., Clancy J.P., Ataei A., Dube P.A., Sharma S., Huq A., Dabkowska H.A., Taillefer L., Gaulin B.D., "Materials preparation, single-crystal growth, and the phase diagram of the cuprate high-temperature superconductor La1.6-xNd0.4SrxCuO4", Physical Review Materials , 4, 114801 (2020).

Dronskowski R., Ogutu G., Stoffel R.P., Houben A., Kozar E., "Ammonothermal synthesis, crystal structure, and vibrational properties of the doubly deprotonated calcium guanidinate, CaC(NH)3", Journal of Inorganic Materials, 646, 180-183 (2020).

Fanah S.J., Ramezanipour F., "Strategies for Enhancing Lithium-Ion Conductivity of Triple-Layered Ruddlesden-Popper Oxides: Case Study of Li2-xLa2-yTi3-zNbzO10", Inorganic Chemistry, 59, 9718–9727 (2020).

Gao S., Lin L., May A.F., Rai B., Zhang Q., Dagotto E., Christianson A.D., Stone M.B., "Weakly coupled alternating S=1\/2 chains in the distorted honeycomb lattice compound Na2Cu2TeO6", Physical Review B, 102, 220402(R) (2020).

Gogolin M., Murshed M.M., Ende M., Miletich R., Gesing T.M., "Uniaxial negative thermal expansion in the mulliteand borax-type PbAlBO4 polymorphs", Journal of Materials Science, 55, 177–190 (2020).

Hu X., Zhang D., Chen T., Chen A.Z., Holmgren E.N., Zhang Q., Pajerowski D.M., Yoon M., Xu G., Choi J.J., Lee S.H., "Crystal structures and rotational dynamics of a two-dimensional metal halide perovskite (OA)2PbI4", Journal of Chemical Physics, 152, 014703 (2020).

Jiang N., Ramanathan A., Bacsa J., La Pierre H.S., "Synthesis of a d1-titanium fluoride kagome lattice antiferromagnet", Nature Chemistry, 12, 691–696 (2020).

Karki S.B., Ramezanipour F., "Pseudocapacitive Energy Storage and Electrocatalytic Hydrogen-Evolution Activity of Defect-Ordered Perovskites SrxCa3-xGaMn2O8 (x = 0 and 1)", ACS Applied Energy Materials, 3, 11, 10983–10992 (2020).

Li C., Zhang Y., Liu J., Graetsch H.A., "Long range and local structure of Srx Ba1-xNb2 O 6 (x = 0.33 and 0.67), across the ferroelectric-relaxor transition", Chemistry of Materials, 32, 1844-1853 (2020).

Li H., "Insights into Ligand-Centered Redox Mechanisms in Li-Rich Metal Oxides During Battery Reactions", Ph.D. Dissertation, The Board of Trustees of the University of Illinois, on behalf of the University of Illinois (2020).

Li H.F., Ramakrishnan S., Freeland J.W., McCloskey B., Cabana J., "Definition of Redox Centers in Reactions of Lithium Intercalation in Li3RuO4 Polymorphs", Journal of the American Chemical Society, 142, 8160-8173 (2020).

Li J., "Structure and Properties Study on Energy Materials: Thermoelectric Material Tetrahedrite and Lithium Ion Conductor LiPON", Ph.D. Dissertation, Michigan State University (2020).

Lininger C.N., Bruck A.M., Lutz D.M., Housel L.M., Takeuchi K., Takeuchi E.S., Huq A., Marschilok A.C., West A.C., "The Systematic Refinement for the Phase Change and Conversion Reactions Arising from the Lithiation of Magnetite Nanocrystals", Advanced Functional Materials, 30, 1907337 (2020).

Liu K., Tan S., Moon J., Jafta C.J., Li C., Kobayashi T., Lyu H., Bridges C.A., Men S., Guo W.T., Sun Y., Zhang J., Paranthaman M.P., Sun X.G., Dai S., "Insights into the Enhanced Cycle and Rate Performances of the F‐Substituted P2‐Type Oxide Cathodes for Sodium‐Ion Batteries", Advanced Energy Materials, 10, 2000135 (2020).

Liu Z., Ma S.G., Liu J., Xiong S., Ma Y., Chen H., "High Ionic Conductivity Achieved in Li3Y(Br3Cl3) Mixed Halide Solid Electrolyte via Promoted Diffusion Pathways and Enhanced Grain Boundary", ACS Energy Letters, 6, 298–304 (2020).

Liu Z., Zinkevich T., Indris S., He X., Liu J., Xu W., Bai J., Xiong S., Mo Y., Chen H., "Li15P4S16Cl3, a Lithium Chlorothiophosphate as a Solid-State Ionic Conductor", Inorganic Chemistry, 59, 1, 226-234 (2020).

Maharaj D.D., "Neutron Studies on Rare-Earth and Double Perovskite Magnetic Oxides with Frustrated Tetrahedral Architectures", Ph.D. Dissertation, McMaster University (2020).

Maniv A., Reyes A., Ramakrishna S.K., Graf D., Huq A., Potashnikov D., Rivin O., Pesach A., Tao Q., Rosen J., Felner I., Caspi E., "Microscopic evidence for Mn-induced long range magnetic ordering in MAX phase compounds", Journal of Physics: Condensed Matter, 33, 025803 (2020).

Minafra N., Kraft M.A., Bernges T., Li C., Schlem R., Morgan B.J., Zeier W.G., "Local Charge Inhomogeneity and Lithium Distribution in the Superionic Argyrodites Li6PS5X (X = Cl, Br, I)", Inorganic Chemistry, 59, 11009-11019 (2020).

Mozur E.M., "Organic-Inorganic Dipolar and Quadrupolar Coupling Underlies the Structure and Properties of Hybrid Perovskites", Ph.D. Dissertation, Colorado State University (2020).

Muralidharan N., Essehli R., Hermann R.P., Amin R., Jafta C.J., Zhang J., Liu J., Du Z., Meyer III H.M., Self E.C., Nanda J., Belharouak I., "Lithium Iron Aluminum Nickelate, LiNix Fey Alz O2—New Sustainable Cathodes for Next‐Generation Cobalt‐Free Li‐Ion Batteries", Advanced Materials, 32, 2002960 (2020).

Nazar L.F., Kaup K., Zhou L., Huq A., "Impact of the Li substructure on the diffusion pathways in alpha and beta Li3PS4: an in-situ high temperature neutron diffraction study", Journal of Materials Chemistry A, 8, 12446-12456 (2020).

Nepal R., "Investigation of Complex Magnetic Phenomena in Spinel FeMn2O4, MnFe2O4, and NiFe2O4", Ph.D. Dissertation, Louisiana State University (2020).

Nguyen P.T., Milam-Guerrero J., Tran G.T., Bloed C.J., Neer A.J., Nguyen A., Gredig T., Huq A., Lapidus S., Melot B.C., Derakhshan S., "Synthesis, Crystal Structure, and Cooperative 3d-5d Magnetism in Rock Salt Type Li4NiOsO6 and Li3Ni2OsO6", Inorganic Chemistry, 59, 7389–7397 (2020).

Niedziela J., Bansal D., Ding J., Lanigan-Atkins T., Li C.W., May A.F., Wang H., Lin J.Y., Abernathy D.L., Ehlers G., Huq A., Parshall D., Lynn J.W., Delaire O., "Controlling phonon lifetimes via sublattice disordering in AgBiSe2", Physical Review Materials , 4, 105402 (2020).

O'Donnell S., Chung C.C., Carbone A., Broughton R., Jones J.L., Maggard P.A., "Pushing the Limits of Metastability in Semiconducting Perovskite Oxides for Visible-Light-Driven Water Oxidation", Chemistry of Materials, 32, 3054-3064 (2020).

Park K.H., Kaup K., Assoud A., Zhang Q., Wu X., Nazar L.F., "High Voltage Superionic Halide Solid Electrolytes for All-Solid-State Li-Ion Batteries", ACS Energy Letters, 5, 533-539 (2020).

Park K.R., Han H., Hou D., Jones J.L., Oh N., Ahn C., Lee J., Lee S.H., Mhin S., "Crystal Structures and Electrical Properties of Cobalt Manganese Spinel Oxides", Materials Today Communications, 25, 101298 (2020).

Peterson G.G., "The Design of Complex Intermetallic Structures or: How I Learned to Stop Worrying and Love Chemical Frustration", Ph.D. Dissertation, University of Wisconsin - Madison (2020).

Peterson G.G., Berns V.M., Fredrickson D.C., "Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides", Journal of the American Chemical Society, 142, 8575-8579 (2020).

Preefer M.B., "From Lithium-Sulfur to Lithium-Ion: Strategies for Improved Battery Materials", Ph.D. Dissertation, University of California, Santa Barbara (2020).

Qi J., Dong B., Zhang Z., Zhang Z., Chen Y., Zhang Q., et al. ., "Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor", Nature Communications, 11, 5197 (2020).

Rocha-Rodrigues P., Santos S.S., Oliveira G.N., Leal T., Miranda I.P., Dos Santos A.M., Correia J.G., Assali L.V., Petrilli H.M., Araujo J.P., Lopes A.M., "Ca2MnO4 structural path: Following the negative thermal expansion at the local scale", Physical Review B, 102, 104115 (2020).

Schlem R., Bernges T., Li C., Kraft M.A., Minafra N., Zeier W.G., "Lattice Dynamical Approach for Finding the Lithium Superionic Conductor Li3ErI6", ACS Applied Energy Materials, 3, 3684-3691 (2020).

Taddei K.M., Sanjeewa L.D., Xing J., Zhang Q., Parker D.S., Podlesnyak A., dela Cruz C., Sefat A.S., "Tunable magnetic order in low-symmetry SeO3 ligand linked TM3(SeO3)3H2O (TM= Mn, Co, and Ni) compounds", Physical Review Materials , 4, 024410 (2020).

Todd P.K., "Enabling and Understanding Low-Temperature Kinetic Pathways in Solid-State Metathesis Reactions", Ph.D. Dissertation, Colorado State University (2020).

Todd P.K., Wustrow A., McAuliffe R.D., McDermott M.J., Tran G.T., McBride B.C., Boeding E.D., O’Nolan D., Liu C., Dwaraknath S.S., Chapman K.W., Billinge S.J., Persson K.A., Huq A., Veith G.M., Neilson J.R., "Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO3 Polymorphs", Inorganic Chemistry, 59, 13639-13650 (2020).

Tran P.M., "Investigating the Relationship between Structure and Magnetic Ground States of 5d Double Perovskites", Ph.D. Dissertation, Ohio State University (2020).

Valle J.M., Sakamoto J., "The effect of lanthanoid defects on anionic solvation of Li in Li6.5La2+xZr1.5Ta0.5O12 from x = 0 to x = 1.2 garnet", Solid State Ionics, 345, 115170 (2020).

Wakazaki S., Nishikubo T., Sakai Y., Shigematsu K., Das H., Zhang D., Zhang Q., Matsuda M., Azuma M., "Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3", Inorganic Chemistry, 59, 13390-13397 (2020).

Wang F., Evans H.A., Kim K., Yin L., Li Y., Tsai P.C., Liu J., Lapidus S., Brown C.M., Siegel D.J., Chiang Y.M., "Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Antiperovskite Li2OHCl", Chemistry of Materials, 32, 13, 8481-8491 (2020).

Wei M., "Composition and Dimensionality Engineering of Perovskite Materials for Photovoltaic Applications", Ph.D. Dissertation, University of Toronto (2020).

Yang H., An K., Nie Z.H., Wang Y.D., Tang B., Peng T., "The anomalous staircase-like magnetization behavior and giant magnetocaloric effect in a Fe-Mn-Ga magnetic shape memory alloy", Intermetallics, 127, 106975 (2020).

Zhang F.X., Tong Y., Kirkham M.J., Huq A., Bei H., Weber W., Zhang Y., "Structural disorder, phase stability and compressibility of refractory body-centered cubic solid-solution alloys", Journal of Alloys and Compounds, 847, 155970 (2020).

Zhang Z., Li H., Kaup K., Zhou L., Roy P., Nazar L.F., "Targeting Superionic Conductivity by Turning on Anion Rotation at Room Temperature in Fast Ion Conductors", Matter, 2, 1667-1684 (2020).

Zhou L., Kwok C.Y., Shyamsunder A., Zhang Q., Wu X., Nazar L.F., "A new halospinel superionic conductor for high-voltage all solid state lithium batteries", Energy & Environmental Science, 13, 7, 2056-2063 (2020).

Zhu Y., Fu Y., Tu B., Li T., Miao J., Zhao Q., Wu S., Xia J., Zhou P., Huq A., Schmidt W., Ouyang D., Tang Z., He Z., Li H., "Crystalline and magnetic structures, magnetization, heat capacity, and anisotropic magnetostriction effect in a yttrium-chromium oxide", Physical Review Materials , 4, 094409 (2020).

Zhu Y., Wu S., Tu B., Jin S., Huq A., Persson J., Gao H., Ouyang D., He Z., Yao D.X., Tang Z., Li H., "High-temperature magnetism and crystallography of a YCrO 3 single crystal", Physical Review B, 101, 014114 (2020).

2019 63 Publications

Adeli P., Bazak J.D., Park K.H., Kochetkov I., Huq A., Goward G., Nazar L.F., "Boosting solid‐state diffusivity and conductivity in lithium superionic argyrodites by halide substitution", Angewandte Chemie International Edition, 58, 8681-8686 (2019).

Amarasinghe D.K., Rabuffetti F.A., "Bandshift Luminescence Thermometry Using Mn4+:Na4Mg(WO4)3 Phosphors", Chemistry of Materials, 31, 10197-10204 (2019).

Baxter S.J., Hester B.R., Wright B.R., Wilkinson A.P., "Controlling the Negative Thermal Expansion and Response to Pressure in ReO3-type Fluorides by the Deliberate Introduction of Excess Fluoride: Mg1-xZr1+xF6+2x, x = 0.15, 0.30, 0.40, and 0.50", Chemistry of Materials, 31, 3440-3448 (2019).

Bayliff K.W., Wu S., Loganathan V., Zhao L.L., Wang J.K., Nevidomskyy A.H., Broholm C., Huang C.L., Morosan E., "From two-dimensional spin vortex crystal to three-dimensional Né el order in the Mott insulator Sr2F2(Fe1-xMx)2OS2", Physical Review B, 99, 2, 024412 (2019).

Bhutani A., Behera P., McAuliffe R.D., Cao H.B., Huq A., Kirkham M.J., dela Cruz C., Woods T.J., Shoemaker D.P., "Incommensurate magnetism in K 2 MnS 2 - x Se x and prospects for tunable frustration in a triangular lattice of pseudo-1D spin chains", Physical Review Materials , 3, 064404 (2019).

Bruck A.M., "Understanding Performance Limiting Phase Changes in Battery Materials", Ph.D. Dissertation, State University of New York at Stony Brook (2019).

Chen D., Kan W.H., Chen G., "Understanding Performance Degradation in Cation‐Disordered Rock‐Salt Oxide Cathodes", Advanced Energy Materials, 2019, 1901255 (2019).

David L.A., Dahlberg K., Mohanty D., Ruther R.E., Huq A., Chi M., An S.J., Mao C., King D.M., Stevenson L., Wood D.L., "Unveiling the Role of Al2O3 in Preventing Surface Reconstruction During High-Voltage Cycling of Lithium-Ion Batteries", ACS Applied Energy Materials, 2, 2, 1308–1313 (2019).

Dragulescu-Andrasi A., Filatov A.S., Oakley R.T., Li X., Lekin K., Huq A., Pak C., Greer S.M., McKay J., Jo M., Lengyel J., Hung I., Maradzike E., DePrince A.E., Stoian S.A., Hill S., Hu Y.Y., Shatruk M., "Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis", Journal of the American Chemical Society, 141, 17989-17994 (2019).

Dugarte-Dugarte A.J., van de Streek J., Dos Santos A.M., Daemen L.L., Puretzky A., de Delgado G.D., Delgado J.D., "Structure determination of oxamic acid from laboratory powder X-Ray diffraction data and energy minimization by DFT-D", Journal of Molecular Structure, 1177, 310-316 (2019).

Fanah S.J., Ramezanipour F., "Enhancing the lithium-ion conductivity in Li2SrTa2-xNbxO7\u00a0(x = 0-2)", Solid State Sciences, 97, 106014 (2019).

Fanah S.J., Yu M., Ramezanipour F., "Experimental and theoretical investigation of lithium-ion conductivity in Li2LaNbTiO7", Dalton Transactions, 48, 17281-17290 (2019).

Giovannelli F., Mathieu C., Fritsch K., Adil K., Goutenoire F., Habicht K., Delorme F., "Room-temperature synthesis of a new stable (N2H4)WO3 compound: a route for hydrazine trapping", Acta Crystallographica Section B, 75, 2, (2019).

Hallas A.M., Morosan E., "Sr(M,Te)2O6 (M = Cr, Mn, Fe, Co, Ni): A Magnetically Dilute Family of Honeycomb Tellurates", Inorganic Chemistry, 58, 6993-6999 (2019).

Harris C.M., Skinner S.J., "Redox behaviour and solid solubility of cerium ortho-niobates", Journal of Solid State Chemistry, 271, 135-143 (2019).

Hona R.K., Huq A., Ramezanipour F., "Charge transport properties of Ca2FeGaO6-δ and CaSrFeGaO6-δ: The effect of defect-order", Materials Chemistry and Physics, 238, 121924 (2019).

Hona R.K., Huq A., Ramezanipour F., "Electrical properties of the ordered oxygen-deficient perovskite Ca2Fe0.5Ga1.5O5", Ionics, 25, 3, 1315-1321 (2019).

Hona R.K., Ramezanipour F., "Enhanced Electrical Properties in BaSrFe2O6-δ (δ=0.5): A Disordered Defect-Perovskite", Polyhedron, 167, 69-74 (2019).

Hong S., Welch R.M., Osterloh F., Zaikina J.V., "Deep eutectic solvent route synthesis of zinc and copper vanadate n-type semiconductors - mapping oxygen vacancies and their effect on photovoltage", Journal of Materials Chemistry A, 7, 12303-12316 (2019).

Huq A., Kirkham M.J., Peterson P.F., Hodges J.P., Whitfield P., Page K., Huegle T., Iverson E.B., Parizzi A., Rennich G.Q., "POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source", Journal of Applied Crystallography, 52, 1189-1201 (2019).

Jankowski J., "Development of Novel High Temperature Aluminum Alloys", Ph.D. Dissertation, Colorado School of Mines (2019).

Jayathilake R.S., "Oxygen Storage Properties of Ternary Metal Oxide Systems for Chemical Looping Reactions", Ph.D. Dissertation, University of Maryland, College Park (2019).

Ji W.H., Yin L., Zhu W.M., Kumar C.M., Li C., Li H.F., Jin W.T., Nandi S., Sun X., Su Y., Brueckel T., Lee Y.B., Harmon B.N., Ke L., Ouyang Z.W., Xiao Y., "Noncollinear magnetic structure and anisotropic magnetoelastic coupling in cobalt pyrovanadate Co2V2O7", Physical Review B, 100, 134420 (2019).

Jiang P., Jiang F., Yue M., Ju J., Xu C., Cong R., Yang T., "Ca2PbGa8O15: Rational Design, Synthesis, and Structure Determination of a Purely Tetrahedra‐based Intergrowth Oxide", Angewandte Chemie International Edition, 58, 18, 5978-5982 (2019).

Kan W.H., Wei C., Chen D., Bo T., Wang B.T., Zhang Y., Tian Y., Lee J.S., Liu Y., Chen G., "Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt-Structured Li1.3Ta0.3Mn0.4O2 Cathode", Advanced Functional Materials, 29, 17, 1808294 (2019).

Khan M.A., Zhang Q., Bao J., Fishman R.S., Botana A., Choi Y., Fabbris G., Haskel D., Singleton J., Mitchell J.F., "Steplike metamagnetic transitions in a honeycomb lattice antiferromagnet Tb2Ir3Ga9", Physical Review Materials , 3, 114411 (2019).

Kirkegaard M.C., Niedziela J., Miskowiec A., Shields A.E., Anderson B., "Elucidation of the Structure and Vibrational Spectroscopy of Synthetic Metaschoepite and Its Dehydration Product", Inorganic Chemistry, 58, 7310-7323 (2019).

Klimkowicz A., Cichy K., Chmaissem O., Dabrowski B., Poudel B., Wierczek K., Taddei K.M., Takasaki A., "Reversible Oxygen Intercalation in Hexagonal Y0.7Tb0.3MnO3+δ: Toward Oxygen Production by Temperature-Swing Absorption in Air", Journal of Materials Chemistry A, 7, 6, 2608-2618 (2019).

Kong D., Hu J., Chen Z., Song K., Li C., Weng M., Li M., Wang R., Liu T., Liu J., Zhang M., Xiao Y., Pan F., "Ti‐Gradient Doping to Stabilize Layered Surface Structure for High Performance High‐Ni Oxide Cathode of Li‐Ion Battery", Advanced Energy Materials, 9, 1901756 (2019).

Liu J., Wang X., Borkiewicz O.J., Hu E., Xiao R., Chen L., Page K., "Unified View of the Local Cation-Ordered State in Inverse Spinel Oxides", Inorganic Chemistry, 58, 14389-14402 (2019).

Mann M., Mroz D., Henrich L., Houben A., Leusen J., Dronskowski R., "Syntheses and Characterization of Diammine-Nickel\/Cobalt(II)-Bisdicyanamide M(NH3)2[N(CN)2]2 with M = Ni and Co", Inorganic Chemistry, 58, 12, 7803-7811 (2019).

McCormack S.J., Kriven W., "Crystal structure solution for theA6B2O17(A= Zr,Hf;B= Nb, Ta) superstructure", Acta Crystallographica Section B, 75, 2, 227-234 (2019).

Minafra N., Culver S.P., Li C., Senyshyn A., Zeier W.G., "Influence of the Lithium Substructure on the Diffusion Pathways and Transport Properties of the Thio-LISICON Li4Ge1-xSnxS4", Chemistry of Materials, 31, 3794-3802 (2019).

Morey J.R., Scheie A., Sheckelton J.P., Brown C.M., McQueen T.M., "Ni2Mo3O8: Complex antiferromagnetic order on a honeycomb lattice", Physical Review Materials , 3, 014410 (2019).

Munirathnappa A.K., Neuefeind J., Yanda P., Sundaresan A., Kityk I.V., Ozga K., Jedryka J., Poornesh P., Rao A., Sundaram N.G., "Average Structure, Local Structure, Photoluminescence and NLO properties of Scheelite type NaCe(WO4)2", Crystal Growth and Design, 19, 11, 6082-6091 (2019).

Nguyen L., Cava R.J., Fry-Petit A.M., "Low temperature structural phase transition in the Ba2CaMoO6 perovskite", Journal of Solid State Chemistry, 277, 415-421 (2019).

Park B., Seok S., "Intrinsic Instability of Inorganic-Organic Hybrid Halide Perovskite Materials", Advanced Materials, 31, 1805337 (2019).

Pathirana V.H., LaBarre P.G., Li J., Ramirez A.P., Subramanian M.A., "Honeycomb Li2Ru1-xRhxO3 solid solution: Structure and electronic properties", Journal of Solid State Chemistry, 282, 121061 (2019).

Sala G., Stone M.B., Rai B., May A.F., Parker D.S., Halasz G.B., Cheng Y.Q., Ehlers G., Garlea V.O., Zhang Q., Lumsden M.D., Christianson A.D., "Crystal field splitting, local anisotropy, and low-energy excitations in the quantum magnet YbCl3", Physical Review B, 100, 180406(R) (2019).

Sanjeewa L.D., Garlea V.O., McGuire M.A., McMillen C.D., Kolis J.W., "Magnetic Ground State Crossover in a Series of Glaserite Systems with Triangular Magnetic Lattices", Inorganic Chemistry, 58, 4, 2813-2821 (2019).

Song B., Tang M., Hu E., Borkiewicz O.J., Wiaderek K.M., Zhang Y., Phillip N.D., Liu X., Shadike Z., Li C., Song L., Hu Y.Y., Chi M., Veith G.M., Yang X.Q., Liu J., Nanda J., Page K., Huq A., "Understanding the Low Voltage Hysteresis of Anionic Redox in Na2Mn3O7", Chemistry of Materials, 31, 10, 3756-3765 (2019).

Song B., Veith G.M., Park J., Yoon M., Whitfield P., Kirkham M.J., Liu J., Huq A., "Metastable Li1+δMn2O4 (0≤δ≤1) Spinel Phases Revealed by in Operando Neutron Diffraction and First-Principles Calculations", Chemistry of Materials, 31, 1, 124–134 (2019).

Sotelo P., Orr M., Galante M.T., Hossain M.K., Firouzan F., Longo C., Kormányos A., Sarker H., Janáky C., Huda M.N., Rajeshwar K., Macaluso R.T., "Role of f Electrons in the Optical and Photoelectrochemical Behavior of Ca(La1-xCex)2S4 (0 ≤ x ≤ 1)", Inorganic Chemistry, 58, 7, 4553–4560 (2019).

Tang Y.S., Wang S.M., Lin L., Zheng S.H., Li C., Li C.F., Zhang J.H., Yan Z.B., Jiang X.P., Liu J.M., "Collinear magnetic structure and multiferroicity in the polar magnet Co2Mo3O8", Physical Review B, 100, 134112 (2019).

Trickett C.A., Osborn Popp T.M., Su J., Yan C., Weisberg J., Huq A., Urban P., Jiang J., Kalmutzki M.J., Liu Q., Baek J., Head-Gordon M.P., Somorjai G.A., Reimer J.A., Yaghi O.M., "Identification of the strong Br\u00f8nsted acid site in a metal-organic framework solid acid catalyst", Nature Chemistry, 11, 170–176 (2019).

Vasquez G., "Exploring The Growth of Charge Balanced Tetrelide Phases from Mg\/Al Flux", Ph.D. Dissertation, Florida State University (2019).

Vasquez G., Huq A., Latturner S.E., "In Situ Neutron Diffraction Studies of the Metal Flux Growth of Ba\/Yb\/Mg\/Si Intermetallics", Inorganic Chemistry, 58, 8111-8119 (2019).

Vibhu V., Suchomel M.R., Penin N., Weill F., Grenier J.C., Bassata J.M., Rougier A., "Structural transformations of the La2-xPrxNiO4+δ system probed by high-resolution synchrotron and neutron powder diffraction", Dalton Transactions, 48, 1, 266-277 (2019).

Wang D., Xin C., Zhang M., Bai J., Zheng J., Kou R., Ko J.Y., Huq A., Zhong G., Sun C.J., Yang Y., Chen Z., Xiao Y., Amine K., Pan F., Wang F., "Intrinsic Role of Cationic Substitution in Tuning Li\/Ni Mixing in High-Ni Layered Oxides", Chemistry of Materials, 31, 8, 2731–2740 (2019).

Wang H., Balasubramanian B., Pahari R., Skomski R., Liu Y., Huq A., Sellmyer D.J., Xu X., "Noncollinear spin structure in Fe3+xCo3-xTi2 (x = 0, 2, 3) from neutron diffraction", Physical Review Materials , 3, 064403 (2019).

Winiarski M.J., Tran T.T., Chamorro J.R., McQueen T.M., "(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1\/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units", Inorganic Chemistry, 58, 7, 4328-4336 (2019).

Wu S., Phelan W.A., Liu L., Morey J.R., Tutmaher J.A., Neuefeind J., Huq A., Stone M.B., Feygenson M., Tam D.W., Frandsen B.A., Trump B.A., Wan C., Dunsiger S.R., McQueen T.M., Uemura Y.J., Broholm C., "Incommensurate Magnetism Near Quantum Criticality in CeNiAsO", Physical Review Letters, 122, 197203 (2019).

Xiong S., He X., Han A., Liu Z., Ren Z., McElhenny B., Nolan A., Chen S., Mo Y., Chen H., "Computation-Guided Design of LiTaSiO5, a New Lithium Ionic Conductor with Sphene Structure", Advanced Energy Materials, 9, 1803821 (2019).

Xue Z., Ramirez-Cuesta A.J., Brown C.M., Calder S., Cao H.B., Chakoumakos B.C., Daemen L.L., Huq A., Kolesnikov A.I., Mamontov E., Podlesnyak A., Wang X.P., "Neutron Instruments for Research in Coordination Chemistry", European Journal of Inorganic Chemistry, 2019, 8, 1065-1089 (2019).

Yan J.Q., Zhang Q., Heitmann T.W., Huang Z., Chen K.Y., Cheng J.G., Wu W., Vaknin D., Sales B.C., McQueeney R.J., "Crystal growth and magnetic structure of MnBi2Te4", Physical Review Materials , 3, 064202 (2019).

Yang L., Li X., Liu J., Xiong S., Ma X., Liu P., Bai J., Xu W., Tang Y., Hu Y.Y., Liu M., Chen H., "Lithium-doping stabilized high-performance P2-Na0.66Li0.18Fe0.12Mn0.7O2 cathode for sodium ion batteries", Journal of the American Chemical Society, 141, 16, 6680-6689 (2019).

Yin L., "Investigation of Key Defects in High-energy Cathode Materials for Li-ion Batteries", Ph.D. Dissertation, State University of New York at Stony Brook (2019).

You Y., Song B., Jarvis K., Huq A., Manthiram A., "Insights into the Improved Chemical Stability against Water of LiF-Incorporated Layered Oxide Cathodes for Sodium-Ion Batteries", ACS Materials Letters, 1, 89-95 (2019).

Zhang Y., "Post-synthetic Control of Defects in Layered Li(NixMnyCoz)O2 Cathode Materials", Ph.D. Dissertation, State University of New York at Stony Brook (2019).

Zhou L., Assoud A., Shyamsunder A., Huq A., Zhang Q., Hartmann P., Kulisch J., Nazar L.F., "An Entropically Stabilized Fast-ion Conductor: Li3.25[Si0.25P0.75]S4", Chemistry of Materials, 31, 7801-7811 (2019).

Zhou L., Assoud A., Zhang Q., Wu X., Nazar L.F., "A New Family of Argyrodite Thioantimonate Lithium Superionic Conductors", Journal of the American Chemical Society, 141, 48, 19002-19013 (2019).

Zhu K., Wu T., Huang K., "A High Capacity Bilayer Cathode for Aqueous Zn-Ion Batteries", ACS Nano, 13, 14447-14458 (2019).

zur Loye H.C., Chance W.M., "Synthesis and Crystal Structure of Iron Zeolitic Frameworks", (2019).

2018 63 Publications

Abeysinghe D., Huq A., Yeon J., Smith M.D., zur Loye H.C., "In situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events During Crystal Growth", Chemistry of Materials, 30, 3, 1187–1197 (2018).

Allen J.L., Allen J.L., Delp S.A., Wolfenstine J., Jow T.R., "LiCoPO4 V Li-ion Cathode", 726 Innovations in Army Energy and Power Materials Technologies Materials Research Forum (2018).

Brady A., "Structural Investigations of Lithium Battery Anode and Cathode Materials", Ph.D. Dissertation, State University of New York at Stony Brook (2018).

Calder S., An K., Boehler R., dela Cruz C., Frontzek M., Guthrie M., Haberl B., Huq A., Kimber S.A., Liu J., Molaison J.J., Neuefeind J., Page K., Dos Santos A.M., Taddei K.M., Tulk C.A., Tucker M.G., "A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory", Review of Scientific Instruments, 89, 9, 092701 (2018).

Chamorro J.R., Ge L., Flynn J., Subramanian M.A., Mourigal M., McQueen T.M., "Frustrated spin one on a diamond lattice in NiRh2O4", Physical Review Materials , 2, 034404 (2018).

Cladek B., Everett S.M., McDonnell M.T., Tucker M.G., Keffer D.J., Rawn C.J., "Guest-Host Interactions in Mixed CH4 - CO2 Hydrates: Insights from Molecular Dynamic Simulations", Journal of Physical Chemistry C, 122, 34, 19575-19583 (2018).

Cochrane C., "Deformation-Induced Phase Transformation in a Quaternary Zirconium Alloy", Ph.D. Dissertation, Queen's University (2018).

Cochrane C., Daymond M.R., "Phase Transformation Temperatures and Solute Redistribution in a Quaternary Zirconium Alloy", Metallurgical and Materials Transactions A, 44, 542, 1-18 (2018).

Dashjav E., Ma Q., Xu Q., Tsai C.L., Giarola M., Mariotto G., Tietz F., "The influence of water on the electrical conductivity of aluminum-substituted lithium titanium phosphates", Solid State Ionics, 321, 83-90 (2018).

Fabini D.H., "Main-Group Halide Perovskites: Structural & Dynamical Insights for Photovoltaic Performance", Ph.D. Dissertation, University of California Santa Barbara (2018).

Fanah S.J., Yu M., Huq A., Ramezanipour F., "Insight into Lithium-Ion Mobility in Li2La(TaTi)O7", Journal of Materials Chemistry A, 6, 44, 22152-22160 (2018).

Gaudet J., "Fragile magnetism in rare earth XY pyrochlores", Ph.D. Dissertation, McMaster University (2018).

Gaudet J., Hallas A.M., Kolesnikov A.I., Gaulin B.D., "Effect of chemical pressure on the crystal electric field states of erbium pyrochlore magnets", Physical Review B, 97, 024415, (2018).

Giampaoli G., Li J., Hermann R.P., Stalick J.K., Subramanian M.A., "Tuning color through sulfur and fluorine substitutions in the defect tin(II, IV) niobate pyrochlores", Solid State Sciences, 81, 32-42 (2018).

Granroth G.E., An K., Smith H.L., Whitfield P., Neuefeind J., Lee J., Zhou W., Sedov V.N., Peterson P.F., Parizzi A., Skorpenske H.D., Hartman S.M., Huq A., Abernathy D.L., "Event-based processing of neutron scattering data at the Spallation Neutron Source", Journal of Applied Crystallography, 51, 1-14 (2018).

Grins J., Wardecki D., Jansson K., Carlson S., Biendicho J.J., Svensson G., "A structural study of Ruddlesden-Popper phases Sr3-xYx(Fe1.25Ni0.75)O7-δ with x ≤ 0.75 by neutron powder diffraction and EXAFS\/XANES spectroscopy", Journal of Materials Chemistry A, 6, 5313-5323 (2018).

Gurieva G., Rios L.E., Franz A., Whitfield P., Schorr S., "Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study", Journal of Applied Physics, 123, 16, 161519 (2018).

Harwell J.R., Payne J.L., Sajjad M.T., Heutz F.J., Dawson D.M., Whitfield P., Irvine J.T., Samuel I.D., Carpenter M.A., "Role of lattice distortion and A site cation in the phase transitions of methylammonium lead halide perovskites", Physical Review Materials , 2, 6, 065404 (2018).

Hona R.K., Huq A., Ramezanipour F., "Magnetic structure of CaSrFeCoO6-δ: Correlations with structural order", Materials Research Bulletin, 106, 131-136 (2018).

James A., Esfahani M.M., Woerner W.R., Sinclair A., Ehm L., Oganov A.R., Parise J.B., "Theoretical and Experimental Investigations into Novel Oxynitride Discovery in the GaN-TiO2 System at High Pressure", Crystals, 8, 2, 15 (2018).

Jiang P., Huang Q., Avdeev M.V., Tao F., Zhou L., Gao W., Cong R., Yang T., "Substitution-Induced Structure Evolution and Zn2+\/Ga3+ Ordering in "114" Oxides MAZn2Ga2O7 (M = Ca2+, Sr2+; A = Sr2+, Ba2+)", Inorganic Chemistry, 57, 13, 7770-7779 (2018).

Kan W.H., Chen D., Papp J.K., Shukla A.K., Huq A., Brown C.M., McCloskey B., Chen G., "Unravelling Solid-State Redox Chemistry in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode Material", Chemistry of Materials, 30, 5, 1655–1666 (2018).

Kan W.H., Deng B., Xu Y., Shukla A.K., Bo T., Zhang S., Liu J., Pianetta P., Wang B.T., Liu Y., Chen G., "Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode", Chem, 4, 9, 2108-2123 (2018).

Kaup K., Lalere F., Huq A., Shyamsunder A., Adermann T., Hartmann P., Nazar L.F., "Correlation of structure and fast ion conductivity in the solid solution series Li1+2xZn1-xPS4", Chemistry of Materials, 30, 3, 592-596 (2018).

Keshavarz S., Kontos S., Wardecki D., Kvashnin Y.O., Pereiro M., Panda S.K., Sanyal B., Eriksson O., Grins J., Svensson G., Gunnarsson K., Svedlindh P., "Magnetic properties of Ruddlesden-Popper phases Sr 3 - x Y x ( Fe 1.25 Ni 0.75 ) O 7 - δ : A combined experimental and theoretical investigation", Physical Review Materials , 2, 4, 044005 (2018).

Kirkham M.J., Heroux L., Ruiz-Rodriguez M., Huq A., "AGES: Automated Gas Environment System for in situ neutron powder diffraction", Review of Scientific Instruments, 89, 9, 092904 (2018).

Kirsch A., "Multiferroic bismuth ferrates : Synthesis, structure-property relationships and phase transformations", Ph.D. Dissertation, University of Bremen (2018).

Kirsch A., Murshed M.M., Kirkham M.J., Huq A., Litterst F.J., Gesing T.M., "Temperature-dependent Structural and Spectroscopic Studies of (Bi1-xFex)FeO3", Journal of Physical Chemistry C, 122, 49, 28280–28291 (2018).

Kumar N., Patterson E., Fromling T., Gorzkowski E.P., Eschbach P., Love I., Mueller M.P., de Souza R., Tucker J., Reese S.R., Cann D.P., "Defect Mechanisms in BaTiO3-BiMO3 Ceramics", Journal of the American Ceramic Society, 101, 6, 2376-2390 (2018).

Lee S.H., Huq A., Yang W., Kim J., "Analysis of local sites of deuterium in Ti53Zr27Ni20 alloys", Physica B: Condensed Matter, 551, 33-36 (2018).

Li M.R., Stephens P.W., Croft M., Deng Z., Li W., Jin C.Q., Retuerto M., Hodges J.P., Frank C.E., Wu M., Walker D., Greenblatt M., "Mn2(Fe0.8Mo0.2)MoO6: A Double-Perovskite with Multiple Transition Metal Sublattice Magnetic Effects", Chemistry of Materials, 30, 14, 4508-4514 (2018).

Li Z.Y., Cho Y., Li X., Li X.Y., Aimi A., Inaguma Y., Alonso J.A., Fernandez-Diaz M.T., Yan J.Q., Downer M.C., Henkelman G., Goodenough J.B., Zhou J.S., "New mechanism for ferroelectricity in the perovskite Ca2-xMnxTi2O6 synthesized by spark plasma sintering", Journal of the American Chemical Society, 146, 6, 2214–2220 (2018).

Lussier J.A., "Understanding the Structure and Reactivity of Solid State Electrolyte Model Systems", Ph.D. Dissertation, University of Manitoba (2018).

Lussier J.A., Simon F.J., Whitfield P., Singh K., Thangadurai V., Bieringer M., "Structure Evolution and Reactivity of the Sc(2-x)VxO3+δ (0 ≤ x ≤ 2.0) System", Inorganic Chemistry, 57, 9, 5607-5614 (2018).

Lussier J.A., Souza D.H., Whitfield P., Bieringer M., "Structural Competition and Reactivity of Rare-Earth Oxide Phases in YxPr2-xO3 (0.05 ≤ x ≤ 0.80)", Inorganic Chemistry, 57, 22, 14106–14115 (2018).

Mao J., Niedziela J., Wang Y., Xia Y., Ge B., Liu Z., Zhou J., Ren Z., Liu W., Chan M.K., Chen G., Delaire O., Zhang Q., Ren Z.F., "Self-compensation induced vacancies for significant phonon scattering in InSb", Nano Energy, 48, 189-196 (2018).

McQuade R., Rowe T., Manjon-Sanz A., Puente L.d., Dolgos M., "An investigation into group 13 (Al, Ga, In) substituted (Na0.5Bi0.5)TiO3-BaTiO3 (NBT-BT) lead-free piezoelectrics", Journal of Alloys and Compounds, 762, 378-388 (2018).

Moller A., George J., Dronskowski R., "First full structural characterization of chloro formamidinium salts", Zeitschrift fur Anorganische und Allgemeine Chemie, 644, 22, 1485-1491 (2018).

Morrow R., McGuire M.A., Yan J.Q., Woodward P.M., "The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites LaABB′O6 (A = Ca, Sr; B = Co, Ni; B′ = Ru, Os)", Inorganic Chemistry, 57, 6, 2989-3001 (2018).

Murshed M.M., Zhao P., Huq A., Gesing T.M., "Thermal expansion behaviors of Li3AsW7O25: a case study for comparative Debye temperature for a large polyatomic unit cell", Zeitschrift fur Anorganische und Allgemeine Chemie, 644, 4, 253-259 (2018).

Neibecker P.B., "Atomic order and its influence on functional properties of NiMn-based Heusler systems", Ph.D. Dissertation, Technical University of Munich (2018).

Olds D., Saunders C.N., Peters M., Proffen T., Neuefeind J., Page K., "Precise implications for real‐space pair distribution function modeling of effects intrinsic to modern time‐of‐flight neutron diffractometers", Acta Crystallographica Section A, 74, 4, (2018).

Peterson P.F., Olds D., Savici A.T., Zhou W., "Advances in utilizing event based data structures for neutron scattering experiments", Review of Scientific Instruments, 89, 9, 093001 (2018).

Pokharel G., May A.F., Parker D.S., Calder S., Ehlers G., Huq A., Kimber S.A., Suriya Arachchige H., Poudel L., McGuire M.A., Mandrus D., Christianson A.D., "Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S", Physical Review B, 97, 134117 (2018).

Ryll B., Schmitz A., de Boor J., Franz A., Whitfield P., Reehuis M., Hoser A., Mueller E., Habicht K., Fritsch K., "Structure, Phase Composition and Thermoelectric Properties of YbxCo4Sb12 and Their Dependence on Synthesis Method", ACS Applied Energy Materials, 1, 1, 113–122 (2018).

Sala G., Maharaj D.D., Stone M.B., Dabkowska H.A., Gaulin B.D., "Crystal field excitations from Yb3+ ions at defective sites in highly stuffed Yb2Ti2 O7", Physical Review B, 97, 224409 (2018).

Sarno C., Yang T., Di Bartolomeo E., Huq A., Huang K., McIntosh S., "Oxygen vacancy localization and anisotropic oxygen anion transport in Sr1-xYxCoO3-δ (x\u202f=\u202f0.1, 0.2) under solid oxide fuel cell cathode conditions", Solid State Ionics, 321, 34-42, (2018).

Self E.C., Zou L., Zhang M.J., Opfer R., Ruther R.E., Veith G.M., Song B., Wang C., Wang F., Huq A., Nanda J., "Synthesis, Electrochemical, and Structural Investigations of Oxidatively Stable Li2MoO3 and xLi2MoO3\u2022(1-x)LiMO2 Composite Cathodes", Chemistry of Materials, 30, 15, 5061-5068 (2018).

Shanmugam R., Chen Q., Lai W., "Structural study of Na2\/3[Ni1\/3Ti2\/3]O2 using neutron diffraction and atomistic simulations", Solid State Ionics, 314, 17-24 (2018).

Sharma N., Mbarki M., Zhang Y., Huq A., Fokwa B.T., "Structural‐Distortion‐Driven Magnetic Transformation from Ferro‐ to Ferrimagnetic Iron Chains in B6‐based Nb6FeIr6B8", Angewandte Chemie International Edition, 57, 32, 10323-10327 (2018).

Singh K., Kan W.H., Patton B.D., Huq A., Thangadurai V., "Insights into B-Site Ordering in Double Perovskite-Type Ba3Ca1+xNb2-xO9-δ (0 ≤ x ≤ 0.45): Combined Synchrotron and Neutron Diffraction and Electrical Transport Analyses", Inorganic Chemistry, 57, 5, 2609–2619 (2018).

Somaily H.M., "Tuning Structural and Physical Properties via A-Site Doping in Perovskite-Type Transition Metal Oxides", Ph.D. Dissertation, Northern Illinois University (2018).

Somaily H.M., Kolesnik S., Mais J., Brown D.E., Chapagain K., Dabrowski B., Chmaissem O., "Strain-induced tetragonal distortions and multiferroic properties in polycrystalline Sr 1 - x B a x Mn O 3 ( x = 0.43 - 0.45 ) perovskites", Physical Review Materials , 2, 5, 054408 (2018).

Surta T.W., Manjon-Sanz A., Qian E.K., Tran T.T., Dolgos M., "Low Temperature Synthesis Route and Structural Characterization of (Bi0.5A0.5)(Sc0.5Nb0.5)O3 (A = K+ and Na+) Perovskites", Inorganic Chemistry Frontiers, 5, 1033-1044 (2018).

Svensson G., Samain L., Biendicho J.J., Mahmoud A., Hermann R.P., Istomin S., Grins J., "Crystal Structure and Coordination of B-Cations in the Ruddlesden-Popper Phases Sr3-xPrx(Fe1.25Ni0.75)O7-δ (0 ≤ x ≤ 0.4)", Inorganics, 6, 3, 89 (2018).

Tan X., Tener Z.P., Shatruk M., "Correlating Itinerant Magnetism in RCo2Pn2 Pnictides (R = La, Ce, Pr, Nd, Eu, Ca; Pn = P, As) to Their Crystal and Electronic Structures", Accounts of Chemical Research, 51, 2, 230–239 (2018).

Tang J.N., Li J., Subramanian M.A., "Structural investigation and selected properties of Zn2.5-xCoxVMoO8 lyonsites", Journal of Solid State Chemistry, 266, 155-160 (2018).

Tumurugoti P., Sundaram S.K., Misture S.T., "Cesium immobilization in (Ba,Cr)-hollandites: Effects on structure", Journal of Solid State Chemistry, 258, Supplement C, 72-78 (2018).

Wang J., Dolyniuk J.A., Kovnir K., "Unconventional Clathrates with Transition Metal-Phosphorus Frameworks", Accounts of Chemical Research, 5f, 1, 31–39 (2018).

Wang J., He Y., Mordvinova N.E., Lebedev O.I., Kovnir K., "The Smaller the Better: Hosting Trivalent Rare-Earth Guests in Cu-P Clathrate Cages", Chem, 4, 6, 1465-1475 (2018).

Windmueller A., Bridges C.A., Tsai C.L., Lobe S., Dellen C., Veith G.M., Finsterbusch M., Uhlenbruck S., Guillon O., "Impact of Fluorination on Phase Stability, Crystal Chemistry, and Capacity of LiCoMnO4 High Voltage Spinels", ACS Applied Energy Materials, 1, 2, 715–724 (2018).

Yang T., "Fundamentals Of Srcoo3 Based Oxygen-Deficient Perovskites As Cathodes For Solid Oxide Fuel Cells", Ph.D. Dissertation, University of South Carolina (2018).

Zhang F.X., Tong Y., Jin K., Bei H., Weber W., Huq A., Lanzirotti A., Newville M., Pagan D.C., Ko J.Y., Zhang Y., "Chemical complexity induced local structural distortion in nicofemncr high-entropy alloy", Materials Research Letters, 6, 8, 450-455 (2018).

2017 49 Publications

Abeysinghe D., "Materials Discovery Of Reduced Early Transition Metal Compounds: Crystal Growth And Characterization", Ph.D. Dissertation, University of South Carolina (2017).

Akbarian-Tefaghi S., "Microwave-Assisted Topochemical Manipulation of Layered Oxide Perovskites: From Inorganic Layered Oxides to Inorganic-Organic Hybrid Perovskites and Functionalized Metal-Oxide Nanosheets", Ph.D. Dissertation, University of New Orleans (2017).

al-Wahish A.B., al-Binni U., Tetard L., Bridges C.A., Kharel K., Guenaydın-Sen O., Huq A., Musfeldt J.L., Paranthaman M.P., Mandrus D., "Structure and Dynamics Investigations of Sr\/Ca-Doped LaPO4 Proton Conductors", Journal of Physical Chemistry C, 121, 22, 11991-12002 (2017).

Aman A., Jordan R., Chen Y., Stadelmann R., Lugovy M., Orlovskaya N., Payzant E.A., dela Cruz C., Reece M.J., Graule T., Kuebler J., "Non-congruence of high-temperature mechanical and structural behaviors of LaCoO3 based perovskites", Journal of the European Ceramic Society, 37, 4, 1563-1576 (2017).

Ball M.R., "First Principles Study of Electronic and Magnetic Structures in Double Perovskites", Ph.D. Dissertation, Ohio State University (2017).

Bansal D., Niedziela J., May A.F., Said A.H., Ehlers G., Abernathy D.L., Huq A., Kirkham M.J., Zhou H.D., Delaire O., "Lattice dynamics and thermal transport in multiferroic CuCrO 2", Physical Review B, 95, 5, 054306 (2017).

Buffon M.L., Laurita G., Lamontagne L., Levin E.E., Mooraj S., Lloyd D.L., White N., Pollock T.M., Seshadri R., "Thermoelectric performance and the role of anti-site disorder in the 24-electron Heusler TiFe2Sn", Journal of Physics: Condensed Matter, 29, 40, 405702 (2017).

Dolyniuk J.A., Whitfield P., Lee K., Lebedev O.I., Kovnir K., "Controlling superstructural ordering in the clathrate-I Ba8M16P30 (M = Cu, Zn) through the formation of metal-metal bonds", Chemical Science, 8, 5, 3650-3659 (2017).

Dolyniuk J.A., Zaikina J.V., Kaseman D.C., Sen S., Kovnir K., "Breaking the Tetra-Coordinated Framework Rule: New Clathrate Ba8M24P28+δ (M=Cu\/Zn)", Angewandte Chemie International Edition, 56, 9, 2418-2422 (2017).

Faber J., Kabekkodu S., Blanton J., Blanton T., Fawcett T., "New neutron time-of-flight (TOF) capability in PDF-4+ relational databases: digitized diffraction patterns and I\/I c for quantitative phases analysis", Powder Diffraction, 32, 2, 107-111 (2017).

Figueiras F.G., Karpinsky D.V., Tavares P.B., Santos Goncalves J.N., Yanez-Vilar S., Tovar M., Franz A., Dos Santos A.M., Moreira J.A., Amaral V.S., "Novel multiferroic state and ME enhancement by breaking the AFM frustration in LuMn1-xO3", Physical Chemistry Chemical Physics, 19, 2, 1335-1341 (2017).

Ge L., Flynn J., Paddison J., Stone M.B., Calder S., Subramanian M.A., Ramirez A.P., Mourigal M., "Spin order and dynamics in the diamond-lattice Heisenberg antiferromagnets CuRh 2 O 4 and CoRh 2 O 4", Physical Review B, 96, 6, 064413 (2017).

Giampaoli G., Li J., Ramirez A.P., Sleight A.W., Subramanian M.A., "Bi2-xCaxIr2O6+y Pyrochlore Phases: Structure and Properties with Varied Ir Oxidation State from 3.9+ to 4.3+", Inorganic Chemistry, 56, 8, 4706–4715 (2017).

Guin M., Dashjav E., Kumar C.M., Tietz F., Guillon O., "Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction", Solid State Sciences, 67, 30-36 (2017).

Hester B.R., Hancock J.C., Lapidus S., Wilkinson A.P., "Composition, Response to Pressure and Negative Thermal Expansion in MIIBIVF6; M - Ca, Mg, B - Zr, Nb", Chemistry of Materials, 29, 2, 823-831 (2017).

Hona R.K., Huq A., Mulmi S., Ramezanipour F., "Transformation of Structure, Electrical Conductivity, and Magnetism in AA′Fe2O6-δ, A = Sr, Ca and A′ = Sr", Inorganic Chemistry, 56, 16, 9716–9724 (2017).

Hona R.K., Huq A., Ramezanipour F., "Unraveling the Role of Structural Order in the Transformation of Electrical Conductivity in Ca2FeCoO6-δ, CaSrFeCoO6-δ, and Sr2FeCoO6-δ", Inorganic Chemistry, 56, 23, 14494-14505 (2017).

Jacobs P., Houben A., Schweika W., Tchougreeff A.L., Dronskowski R., "Instrumental resolution as a function of scattering angle and wavelength as exemplified for the POWGEN instrument", Journal of Applied Crystallography, 50, 3, 866-875 (2017).

John J., "Structural Chemistry of Functional Nano-Materials for Environmental Remediation", Ph.D. Dissertation, State University of New York at Stony Brook (2017).

Kan W.H., Kuppan S., Cheng L., Doeff M., Nanda J., Huq A., Chen G., "Crystal Chemistry and Electrochemistry of LixMn1.5Ni0.5O4 Solid Solution Cathode Materials", Chemistry of Materials, 29, 16, 6818–6828 (2017).

Kaveevivitchai W., Huq A., Manthiram A., "Microwave-assisted chemical insertion: A rapid technique for screening cathodes for Mg-ion batteries", Journal of Materials Chemistry A, 5, 5, 2309-2318 (2017).

Kaveevivitchai W., Huq A., Wang S., Park M.J., Manthiram A., "Rechargeable Aluminum-Ion Batteries Based on an Open-Tunnel Framework", Small, 13, 34, 1701296 (2017).

Kumar D., Chen S.Y., Lee M.K., Kumar C.M., Aldus R., Chang L.J., "Low temperature magnetic properties of frustrated pyrochlore ferromagnet Ho 2 Ir 2 O 7", Journal of Physics: Conference Series, 828, 1, 012008 (2017).

Lin C.C., Tsai Y.T., Johnston H.E., Fang M.H., Yu F., Zhou W., Whitfield P., Li Y., Wang J., Liu R.S., Attfield J.P., "Enhanced Photoluminescence Emission and Thermal Stability from Introduced Cation Disorder in Phosphors", Journal of the American Chemical Society, 139, 34, 11766–11770 (2017).

Liu H., Lapidus S., Meng Y., Chupas P.J., Chapman K.W., "Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes", Journal of the Electrochemical Society, 164, 9, A1802-A1811 (2017).

Liu J., Whitfield P., Saccomanno M.R., Bo S.H., Hu E., Yu X., Bai J., Grey C.P., Yang X.Q., Khalifah P.G., "In situ Neutron Diffraction Studies of Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for Hidden Phase Transition", Journal of the American Chemical Society, 139, 27, 9192–9202 (2017).

Manjon-Sanz A., Berger C., Dolgos M., "Understanding the structure-property relationships of the ferroelectric to relaxor transition of the (1 - x)BaTiO3-(x)BiInO3 lead-free piezoelectric system", Journal of Materials Science, 52, 9, 5309-5323 (2017).

McAuliffe R.D., Miller C.A., Zhang X., Hulbert B.S., Huq A., dela Cruz C., Schleife A., Shoemaker D.P., "Structural, Electronic, and Optical Properties of K2Sn3O7 with an Offset Hollandite Structure", Inorganic Chemistry, 205, 31-49 (2017).

McGuire M.A., Garlea V.O., KC S., Cooper V.R., Yan J.Q., Cao H.B., Sales B.C., "Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3", Physical Review B, 95, 14, 144421 (2017).

Mohanty D., Mazumder B., Devaraj A., Sefat A.S., Huq A., David L.A., Payzant E.A., Li J., Wood III D.L., Daniel C., "Resolving the Degradation Pathways in High-Voltage Oxides for High-Energy-Density Lithium-Ion Batteries; Alternation in Chemistry, Composition and Crystal structures", Nano Energy, 36, 76–84 (2017).

Mozur E.M., Maughan A.E., Cheng Y.Q., Huq A., Jalarvo N., Daemen L.L., Neilson J.R., "Orientational Glass Formation in Substituted Hybrid Perovskites", Chemistry of Materials, 29, 23, 10168–10177 (2017).

Pierce E.M., Lilova K.I., Missimer D.M., Lukens W.W., Wu L., Fitts J.P., Rawn C.J., Huq A., Leonard D.N., Eskelsen J.R., Woodfield B.F., Jantzen C.M., Navrotsky A., "Structure and Thermochemistry of Perrhenate Sodalite and Mixed Guest Perrhenate\/Pertechnetate Sodalite", Environmental Science & Technology, 51, 2, 997-1006 (2017).

Rickert K., Harris J., Sedefoglu N., Kavak H., Ellis D.E., Poeppelmeier K.R., "Site Identity and Importance in Cosubstituted Bixbyite In2O3", Crystals, 7, 2, 47 (2017).

Sheckelton J.P., Plumb K.W., Trump B.A., Broholm C., McQueen T.M., "Rearrangement of van der Waals stacking and formation of a singlet state at T = 90 K in a cluster magnet", Inorganic Chemistry Frontiers, 4, 3, 481-490 (2017).

Skiadopoulou S., "Spin and Lattice Excitations in Multiferroics", Ph.D. Dissertation, Academy of Sciences of the Czech Republic (2017).

Somaily H.M., Kolesnik S., Dabrowski B., Chmaissem O., "Thermoelectric and structural correlations in (Sr1-x-yCaxNdy) TiO3 perovskites", Physical Review B, 96, 064105 (2017).

Spanjers C.S., Dasgupta A., Kirkham M.J., Burger B.A., Kumar G., Janik M.J., Rioux R.M., "Determination of Bulk and Surface Atomic Arrangement in Ni-Zn Gamma Brass Phase at Different Ni to Zn Ratios", Chemistry of Materials, 29, 2, 504-512 (2017).

Su X., Bromberg L., Martis V., Simeon F., Huq A., Hatton T.A., "Postsynthetic Functionalization of Mg-MOF-74 with Tetraethylenepentamine: Structural Characterization and Enhanced CO2 Adsorption", ACS Applied Materials & Interfaces, 9, 12, 11299-11306 (2017).

Sun X., Tripathi R., Popov G., Balasubramanian M., Nazar L.F., "Stabilization of Lithium Transition Metal Silicates in the Olivine Structure", Inorganic Chemistry, 56, 16, 9931–9937 (2017).

Surta T.W., Manjon-Sanz A., Qian E.K., Mansergh R.H., Tran T.T., Fullmer L.B., Dolgos M., "Dielectric and Ferroelectric Properties in Highly Substituted Bi2Sr(A)TiNb2O12 (A = Ca2+, Sr2+, Ba2+) Aurivillius Phases", Chemistry of Materials, 29, 18, 7774–7784 (2017).

Taddei K.M., Allred J.M., Bugaris D.E., Lapidus S., Krogstad M.J., Claus H., Chung D.Y., Kanatzidis M.G., Osborn R., Rosenkranz S., Chmaissem O., "Observation of the magnetic C 4 phase in Ca 1 - x Na x Fe 2 As 2 and its universality in the hole-doped 122 superconductors", Physical Review B, 95, 6, 064508 (2017).

Taylor A.E., Calder S., Morrow R., Feng H.L., Upton M.H., Lumsden M.D., Yamaura K., Woodward P.M., Christianson A.D., "Spin-Orbit Coupling Controlled J = 3 \/ 2 Electronic Ground State in 5 d 3 Oxides", Physical Review Letters, 118, 20, 207202 (2017).

Taylor D.D., "Structural and Chemical Factors Governing Anion Reactivity in Perovskite Oxides", Ph.D. Dissertation, University of Maryland (2017).

Tchougreeff A.L., Stoffel R.P., Houben A., Jacobs P., Dronskowski R., Pregelj M., Zorko A., Arcon D., Zaharko O., "Atomic motions in the layered copper pseudochalcogenide CuNCN indicative of a quantum spin-liquid scenario", Journal of Physics: Condensed Matter, 29, 23, 235701 (2017).

Wang D., Kou R., Ren Y., Sun C.J., Zhang M.J., Li Y., Huq A., Ko J.Y., Pan F., Sun Y., Yang Y., Amine K., Bai J., Chen Z., Chen Z., Wang F., "Synthetic Control of Kinetic Reaction Pathway and Cationic Ordering in High-Ni Layered Oxide Cathodes", Advanced Materials, 29, 39, 1606715 (2017).

Wang J., Yang T., Lei L., Huang K., "Ta-Doped SrCoO3-δ as a Promising Bifunctional Oxygen Electrode for Reversible Solid Oxide Fuel Cells: A Focused Study on Stability", Journal of Materials Chemistry A, 5, 19, 8989-9002 (2017).

Xu X., Zhang X., Yin Y., Balasubramanian B., Das B., Liu Y., Huq A., Sellmyer D.J., "Anti-site mixing and magnetic properties of Fe3Co3Nb2 studied via neutron powder diffraction", Journal of Physics D: Applied Physics, 50, 2, 025002 (2017).

Zhang F.X., Zhao S., Jin K., Bei H., Popov D., Park C., Neuefeind J., Weber W., Zhang Y., "Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys", Applied Physics Letters, 110, 1, 011902 (2017).

Zhao J., Zhang W., Huq A., Misture S.T., Zhang B., Guo S., Wu L., Zhu Y., Chen Z., Amine K., Pan F., Bai J., Wang F., "In Situ Probing and Synthetic Control of Cationic Ordering in Ni-Rich Layered Oxide Cathodes", Advanced Energy Materials, 7, 3, 1601266 (2017).

2016 69 Publications

Abreu Sepulveda M., "Investigation of Electrode Materials Based on Perovskite and Pyrochlore Structures for the Oxygen Evolution Reaction", Ph.D. Dissertation, University of Rochester (2016).

Abreu Sepulveda M., Dhital C., Huq A., Li L., Bridges C.A., Paranthaman M.P., Narayanan S.R., Quesnel D.J., Tryk D.A., Manivannan A., "The Influence of Fe Substitution in Lanthanum Calcium Cobalt Oxide on the Oxygen Evolution Reaction in Alkaline Media", Journal of the Electrochemical Society, 163, 9, F1124-F1132 (2016).

Abreu Sepulveda M., Williams D.E., Huq A., Dhital C., Li Y., Paranthaman M.P., Zaghib K., Manivannan A., "Synthesis and characterization of substituted garnet and perovskite-based lithium-ion conducting solid electrolytes", Ionics, 22, 3, 317–325 (2016).

al-Wahish A.B., al-Binni U., Bridges C.A., Tang S., Bi Z., Paranthaman M.P., Huq A., Mandrus D., "In Situ X-ray and Neutron Diffraction of the Rare-Earth Phosphate Proton Conductors Sr\/Ca-Doped LaPO4 at Elevated Temperatures", Chemistry of Materials, 28, 20, 7232–7240 (2016).

Allen J.L., Allen J.L., Thompson T., Delp S.A., Wolfenstine J., Jow T.R., "Cr and Si Substituted-LiCo0.9Fe0.1PO4: Structure, full and half Li-ion cell performance", Journal of Power Sources, 327, 229-234 (2016).

Allred J.M., Taddei K.M., Bugaris D.E., Krogstad M.J., Lapidus S., Chung D.Y., Claus H., Kanatzidis M.G., Brown D.E., Kang J.Y., Fernandes R.M., Eremin I., Rosenkranz S., Chmaissem O., Osborn R., "Double-Q spin-density wave in iron arsenide superconductors", Nature Physics, 12, 493–498 (2016).

Aman A., "A multi-scale approach to study Solid Oxide Fuel Cells: from Mechanical Properties and Crystal Structure of the Cell's Materials to the Development of an Interactive and Interconnected Educational Tool", Ph.D. Dissertation, University of Central Florida (2016).

Balasubramanian B., Das B., Nguyen M.C., Xu X., Zhang J., Zhang X., Liu Y., Huq A., Valloppilly S.R., Jin Y., Wang C.Z., Ho K.M., Sellmyer D.J., "Structure and magnetism of new rare-earth-free intermetallic compounds: Fe3+xCo3-xTi2 (0 ≤ x ≤ 3)", APL Materials, 4, 11, 116109 (2016).

Banerjee A., Bridges C.A., Yan J.Q., Aczel A.A., Li L., Stone M.B., Granroth G.E., Lumsden M.D., Yiu Y., Knolle J., Bhattacharjee S., Kovrizhin D.L., Moessner R., Tennant D.A., Mandrus D., Nagler S.E., "Proximate Kitaev quantum spin liquid behaviour in a honeycomb magnet", Nature Materials, 15, 733–740 (2016).

Black D.R., Mendenhall M.H., Windover D., Henins A., Filliben J., Cline J.P., "Certification of standard reference material 1878b respirable α-quartz", Powder Diffraction, 31, 3, 211-215 (2016).

Bozin E.S., Huq A., Shen B., Claus H., Kwok W.K., Tranquada J.M., "Charge-screening role of c-axis atomic displacements in YBa2Cu3O6+x and related superconductors", Physical Review B, 93, 054523 (2016).

Bridges C.A., Rios O., Allard L.F., Meyer III H.M., Huq A., Jiang Y., Wang J.P., Brady M.P., "The impact of carbon coating on the synthesis and properties of a''-Fe16N2 powders ", Physical Chemistry Chemical Physics, 18, 13010-13017 (2016).

Buffon M.L., Laurita G., Verma N., Lamontagne L., Ghadbeigi L., Lloyd D.L., Sparks T.D., Pollock T.M., Seshadri R., "Enhancement of thermoelectric properties in the Nb-Co-Sn half-Heusler\/Heusler system through spontaneous inclusion of a coherent second phase", Journal of Applied Physics, 120, 7, 075104 (2016).

Chatterjee S., Conroy M., Smith F., Jung H.J., Wang Z., Peterson R.A., Huq A., Burtt D.G., Ilton E.S., Buck E.C., " Can Cr(III) substitute for Al(III) in the structure of Boehmite?", RSC Advances, 6, 107628-107637 (2016).

Cizmar E., Risset O.N., Wang T., Botko M., Ahir A.R., Andrus M.J., Park J.H., Abboud K.A., Talham D.R., Meisel M.W., Brown S.E., "Antiferromagnetic ordering in MnF(salen)", Journal of Physics: Condensed Matter, 28, 23, 236003 (2016).

Duan B., Yang J., Salvador J.R., He Y., Zhao B., Wang S., Wei P., Ohuchi F.S., Zhang W., Hermann R.P., Gourdon O.A., Mao S.X., Cheng Y., Wang C., Liu J., Zhai P., Tang X., Zhang Q., Yang J., "Electronegative Guests in CoSb3", Energy & Environmental Science, 9, 6, 2090-2098 (2016).

Fabini D.H., Laurita G., Bechtel J.S., Stoumpos C.C., Evans H.A., Kontos A.G., Raptis Y.S., Falaras P., Van der Ven A., Kanatzidis M.G., Seshadri R., "Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3", Journal of the American Chemical Society, 138, 36, 11820-11832 (2016).

Flynn J., Li J., Sleight A.W., Ramirez A.P., Subramanian M.A., "Structure and Properties of Ir-Containing Oxides with Large Spin-Orbit Coupling: Ba2In2-xIrxO5+δ", Inorganic Chemistry, 55, 6, 2748–2754 (2016).

Gorne A.L., George J., van Leusen J., Duck G., Jacobs P., Chogondahalli Muniraju N.K., Dronskowski R., "Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3", Inorganic Chemistry, 55, 12, 6161–6168 (2016).

He G., Huq A., Kan W.H., Manthiram A., "β-NaVOPO4 Obtained by a Low-temperature Synthesis Process: A New 3.3 V Cathode for Sodium-ion Batteries", Chemistry of Materials, 28, 5, 1503-1512 (2016).

Hermus M., Mansouri Tehrani A., Brgoch J., "Determining a Structural Distortion and Anion Ordering in La2Si4N6C via Computation and Experiment", Inorganic Chemistry, 55, 18, 9454–9460 (2016).

Hood Z.D., Kates C., Kirkham M.J., Adhikari S., Liang C., Holzwarth N.A., "Structural and electrolyte properties of Li4P2S6", Solid State Ionics, 284, 61–70 (2016).

Kan W.H., Huq A., Manthiram A., "Exploration of a Metastable Normal Spinel Phase Diagram for the Quaternary Li-Ni-Mn-Co-O System", Chemistry of Materials, 28, 6, 1832–1837 (2016).

Kan W.H., Lai K.Y., Huq A., Manthiram A., "Unravelling the low thermal expansion coefficient of cation-substituted YBaCo4O7+d", Journal of Power Sources, 307, 454-461 (2016).

Kelly Z.A., Gallagher M.J., McQueen T.M., "Electron Doping a Kagome Spin Liquid", Physical Review X, 6, 041007 (2016).

Kobayashi G., Hinuma Y., Matsuoka S., Watanabe A., Iqbal M., Hirayama M., Yonemura M., Kamiyama T., Tanaka I., Kanno R., "Pure H- conduction in oxyhydrides", Science, 351, 6279, 1314-1317 (2016).

Latshaw A.M., Chance W.M., Morrison G., zur Loye K.D., Wilkins B.O., Smith M.D., Whitfield P., Kirkham M.J., Stoian S.A., zur Loye H.C., "Synthesis of a Ferrolite: A Zeolitic All-Iron Framework", Angewandte Chemie International Edition, 55, 42, 13195–13199 (2016).

Li M.R., Hodges J.P., Retuerto M., Deng Z., Stephens P.W., Croft M., Deng X., Kotliar G., Sanchez-Benitez J., Walker D., Greenblatt M., "Mn2MnReO6: Synthesis and Magnetic Structure Determination of a New Transition-metal-only Double Perovskite Canted Antiferromagnet", Chemistry of Materials, 28, 9, 3148–3158 (2016).

Liu H., "Diagnosing, Optimizing and Designing Ni and Mn based Layered oxides as Cathode Materials for Next Generation Li ion Batteries and Na ion Batteries", Ph.D. Dissertation, University of California San Diego (2016).

Liu J., Huq A., Moorhead-Rosenberg Z., Manthiram A., Page K., "Nanoscale Ni\/Mn Ordering in the High Voltage Spinel Cathode LiNi0.5Mn1.5O4", Chemistry of Materials, 28, 19, 6817–6821 (2016).

Lussier J.A., Devitt G., Szkop K.M., Bieringer M., "Oxygen Trapping and Cation Site-Splitting in Y(2-x)PrxO3+δ (0.0≤x<2.0 and δ≤1.0)", Journal of Solid State Chemistry, 242, 126-132 (2016).

Lussier J.A., Szkop K.M., Sharma A.Z., Wiebe C.R., Bieringer M., "Order\/Disorder and in Situ Oxide Defect Control in the Bixbyite Phase YPrO3+δ (0 ≤ δ < 0.5)", Inorganic Chemistry, 55, 5, 2381-2389 (2016).

Maughan A.E., Ganose A.M., Bordelon M.M., Miller E.M., Scanlon D.O., Neilson J.R., "Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6", Journal of the American Chemical Society, 138, 27, 8453-8464 (2016).

Miskowiec A., Anderson B., Huq A., Mamontov E., Herwig K.W., Trowbridge L., Rondinone A.J., "Time-dependent water dynamics in hydrated uranyl fluoride", Molecular Physics, 114, 1, 61-71 (2016).

Morrow R., Soliz J.R., Hauser A.J., Gallagher J.C., Susner M.A., Sumption M.D., Aczel A.A., Yan J.Q., Yang F., Woodward P.M., "The effect of chemical pressure on the structure and properties of A2CrOsO6 (A=Sr, ca) ferrimagnetic double perovskite", Journal of Solid State Chemistry, 238, 46-52 (2016).

Morrow R., Taylor A.E., Singh D.J., Xiong J., Rodan S., Wolter A.U., Wurmehl S., Buchner B., Stone M.B., Kolesnikov A.I., Aczel A.A., Christianson A.D., Woodward P.M., "Spin-orbit coupling control of anisotropy, ground state and frustration in 5d2 Sr2MgOsO6", Scientific Reports, 6, 32462 (2016).

Murshed M.M., Zhao P., Fischer M., Huq A., Alekseev E.V., Gesing T.M., "Thermal expansion modeling of framework-type Na[AsW2O9] and K[AsW2O9]", Materials Research Bulletin, 84, 273-282, 273-282 (2016).

Rau J.G., Wu L.S., May A.F., Poudel L., Winn B.L., Garlea V.O., Huq A., Whitfield P., Taylor A.E., Lumsden M.D., Gingras M., Christianson A.D., "Anisotropic Exchange within Decoupled Tetrahedra in the Quantum Breathing Pyrochlore Ba3Yb2Zn5O11", Physical Review Letters, 116, 257204 (2016).

Redhammer G.J., Rettenwander D., Pristat S., Dashjav E., Kumar C.M., Topa D., Tietz F., "A single crystal X-ray and powder neutron diffraction study on NASICON-type Li1+xAlxTi2-x(PO4)3 (0 < x < 0.5) crystals: Implications on ionic conductivity", Solid State Sciences, 60, 99-107 (2016).

Retuerto M., Skiadopoulou S., Li M.R., Abakumov A.M., Croft M., Ignatov A., Sarkar T., Abbett B.M., Pokorny J., Savinov M., Nuzhnyy D., Prokleska J., Abeykoon A.M., Stephens P.W., Hodges J.P., Vanek P., Fennie C.J., Rabe K.M., Kamba S., Greenblatt M., "Pb2MnTeO6 Double Perovskite: An Antipolar Anti-ferromagnet", Inorganic Chemistry, 55 , 4320–4329, 9 (2016).

Rickert K., "The Impact of Local Coordination Environments on Transparency and Conductivity in Select Fluorite-Related Systems", Ph.D. Dissertation, Northwestern University (2016).

Rickert K., Boullay P., Malo S., Caignaert V., Poeppelmeier K.R., "A Rutile Chevron Modulation in Delafossite-Like Ga3-xIn3TixO9+x\/2", Inorganic Chemistry, 55, 9, 4403–4409 (2016).

Santodonato L., "Temperature-Dependent Structures and Atomic Mixing Behaviors in High-Entropy Alloys", Ph.D. Dissertation, University of Tennessee (2016).

Sesselmann A., Klobes B., Dasgupta T.S., Gourdon O.A., Hermann R.P., Mueller E., "Neutron diffraction and thermoelectric properties of indium filled InxCo4Sb12 (x=0.05, 0.2) and indium cerium filled Ce0.05In0.1Co4Sb12 skutterudites", Physica Status Solidi A, 213, 3, 766–773 (2016).

Sharits A.R., "Structure-Property Relationships in Noncentrosymmetric Layered Perovskites", Ph.D. Dissertation, Ohio State University (2016).

Sharits A.R., Khoury J.F., Woodward P.M., "Evaluating NaREMgWO6 (RE = La, Gd, Y) Doubly Ordered Double Perovskites as Eu3+ Phosphor Hosts", Inorganic Chemistry, 55, 23, 12383–12390 (2016).

Sterri K.B., Deringer V.L., Houben A., Jacobs P., Chogondahalli Muniraju N.K., Dronskowski R., "Neutron powder diffraction and theory-aided structure refinement of rubidium and cesium ureate", Zeitschrift fur Naturforschung B, 71, 5, 431–438 (2016).

Taddei K.M., Allred J.M., Bugaris D.E., Lapidus S., Krogstad M.J., Stadel R., Claus H., Chung D.Y., Kanatzidis M.G., Rosenkranz S., Osborn R., Chmaissem O., "Detailed magnetic and structural analysis mapping a robust magnetic C4 dome in Sr1-xNaxFe2As2", Physical Review B, 93, 134510 (2016).

Talaie-Pashiri E., "Manganese and Iron-Based Layered Oxide Positive Electrodes for Sodium-Ion Batteries", Ph.D. Dissertation, University of Waterloo (2016).

Tamimi M.A., "Ionic Conductivity and its Role in Oxidation Reactions", Ph.D. Dissertation, Lehigh University (2016).

Taylor D.D., Schreiber N.J., Levitas B.D., Xu W., Whitfield P., Rodriguez E.E., "Oxygen storage properties of La1-xSrxFeO3-δ for chemical-looping reactions - an in-situ neutron and synchrotron X-ray study", Chemistry of Materials, 28, 11, 3951–3960 (2016).

Tedesco J.C., Pedro S.S., Caraballo Vivas R.J., Cruz C., Andrade V.M., Dos Santos A.M., Carvalho A.M., Costa M., Venezuela P., Rocco D.L., Reis M.S., "Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory", Journal of Physics: Condensed Matter, 28, 47, (2016).

Tomkiewicz A., "Insights into the link between bulk and surface properties of solid oxide fuel cell cathode materials", Ph.D. Dissertation, Lehigh University (2016).

Tomkiewicz A., Tamimi M.A., Huq A., McIntosh S., "Structural analysis of PrBaMn2O5+δ under SOFC anode conditions by in-situ neutron powder diffraction", Journal of Power Sources, 330, 240-245 (2016).

Trease N.M., Seymour I.D., Radin M., Liu H., Hy S., Liu H., Chernova N.A., Parikh P., Devaraj A., Wiaderek K.M., Chupas P.J., Chapman K.W., Whittingham M.S., Meng Y.S., Van der Ven A., Grey C.P., "Identifying the distribution of Al3+ in LiNi0.8Co0.15Al0.05O2", Chemistry of Materials, 28, 22, 8170–8180 (2016).

Valle Rios L.E., "Structural trends in off-stoichiometric kesterite type compound Cu2ZnSnSe4 semiconductor", Ph.D. Dissertation, Freie Universitat Berlin (2016).

Vibhu V., "Stability and ageing studies of praseodymium-based nickelates as cathodes for Solid Oxide Fuel Cells", Ph.D. Dissertation, University of Bordeaux (2016).

Wang A., Graf D., Wu L., Wang K., Bozin E.S., Zhu Y., Petrovic C., "Interlayer electronic transport in CaMnBi2 antiferromagnet", Physical Review B, 94, 12, 125118 (2016).

Wang C.L., "Performance improvements of wavelength-shifting-fiber neutron detectors using high-resolution positioning algorithms", Review of Scientific Instruments, 87, 053303 (2016).

Wang C.L., Crow L., Funk L.L., Hannan B.W., Hodges J.P., Riedel R.A., "Optimizing ZnS\/6LiF scintillators for wavelength-shifting-fiber neutron detectors", 2015 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC), (2016).

Wang H., Kirkham M.J., Watkins T.R., Payzant E.A., Salvador J.R., Thompson A.J., Sharp J.W., Brown D., Miller D., "Neutron and x-ray powder diffraction study of skutterudite thermoelectrics", Powder Diffraction, 31, 1, 16-22 (2016).

Whitfield P., "Quantitative phase analysis of challenging samples using neutron powder diffraction. Sample #4 from the CPD QPA round robin revisited", Powder Diffraction, 31, 03, 192-197 (2016).

Whitfield P., Coelho A.A., "Asymmetric band flipping for time-of-flight neutron diffraction data", Journal of Applied Crystallography, 49, 1806-1809 (2016).

Whitfield P., Herron N., Guise W.E., Page K., Cheng Y.Q., Milas I., Crawford M.K., "Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide", Scientific Reports, 6, 35685 (2016).

Woerner W.R., Qian G.R., Oganov A.R., Stephens P.W., Dharmagunawardhane H.A., Sinclair A., Parise J.B., "Combined Theoretical and in Situ Scattering Strategies for Optimized Discovery and Recovery of High-Pressure Phases: A Case Study of the GaN-Nb2O5 System", Inorganic Chemistry, 55, 7, 3384-3392 (2016).

Yang H., "In-situ Neutron Diffraction Studies on Phase Transformation and Functional Behaviors of Ni(Mn)-Fe-Ga Ferromagnetic Shape Memory Alloys", Ph.D. Dissertation, Northeastern University China (2016).

Yang H., Chen Y., Bei H., dela Cruz C., Wang Y.D., An K., "Annealing effects on the structural and magnetic properties of off-stoichiometric Fe-Mn-Ga ferromagnetic shape memory alloys", Materials & Design, 104, 327–332 (2016).

Zhang Q., Kumar C.M., Tian W., Dennis K.W., Goldman A.I., Vaknin D., "Structure and magnetic properties of LnMnSbO (Ln=La and Ce)", Physical Review B, 93, 094413 (2016).

Zhou S., Barim G., Morgan B.J., Melot B.C., Brutchey R.L., "Influence of Rotational Distortions on Li+- and Na+-Intercalation in Anti-NASICON Fe2(MoO4)3", Chemistry of Materials, 28, 12, 4492–4500 (2016).

2015 67 Publications

Abughayada C., "Air separation and oxygen storage properties of hexagonal rare-earth manganites", Ph.D. Dissertation, Northern Illinois University (2015).

Abughayada C., Dabrowski B., Kolesnik S., Brown D.E., Chmaissem O., "Characterization of oxygen storage and structural properties of oxygen-loaded hexagonal RMnO3+sigma (R = Ho, Er, and Y)", Chemistry of Materials, 27, 18, 6259–6267 (2015).

Bernardo P.L., Ghivelder L., Amorim H.S., Neumeier J.J., Garcia S., "Magnetic structure driven by monoclinic distortions in the double perovskite Sr2YRuO6", New Journal of Physics, 17, 10, 103007 (2015).

Bo S.H., Grey C.P., Khalifah P.G., "Defect-tolerant diffusion channels for Mg2+ ions in ribbon-type borates: structural insights into potential battery cathodes MgVBO4 and MgxFe2-xB2O5", Chemistry of Materials, 27, 13, 4630-4639 (2015).

Boltersdorf J., Maggard P.A., "Structural and electronic investigations of PbTa4O11 and BiTa7O19 Constructed from a-U3O8 Types of Layers", Journal of Solid State Chemistry, 229, 310-321 (2015).

Brant J.A., "Synthesis, structure elucidation and physiochemical characteriazation of Li2-II-IV-S4 diamond-like semiconductors: Study of nonlinear optical properties, magnetism, and lithium ion conductivity", Ph.D. Dissertation, Duquesne University (2015).

Chatterji T., Kumar C.M., Wdowik U.D., "Anomalous temperature-induced volume contraction in GeTe", Physical Review B, 91, 5, 054110 (2015).

Chen Y., Cai L., Liu Z., dela Cruz C., Liang C., An K., "Correlation of anisotropy and directional conduction in b-Li3PS4 fast Li+ conductor", Applied Physics Letters, 107, 1, 013904 (2015).

Chen Y., Orlovskaya N., Payzant E.A., Graule T., Kuebler J., "A search for temperature induced time-dependent structural transitions in 10 mol%Sc2O3-1 mol%CeO2-ZrO2 and 8 mol%Y2O3-ZrO2 electrolyte ceramics", Journal of the European Ceramic Society, 35, 3, 951-958 (2015).

Colabello D.M., "Understanding Direct Metal-Metal Bonding in Rare Earth Molybdates", Ph.D. Dissertation, State University of New York at Stony Brook (2015).

Colabello D.M., Camino F.E., Huq A., Hybertsen M., Khalifah P.G., "Charge disproportionation in tretragonal La2MoO5, a small band gap semiconductor influenced by direct Mo-Mo bonding", Journal of the American Chemical Society, 37, 3, 1245-1257 (2015).

Cottingham P., "Nano-Scale Charge Separation in PdTeI and Perovskite Photovoltaic Devices Observed by Crystallography and Temperature-Dependent Photocurrent Spectroscopy", Ph.D. Dissertation, Johns Hopkins University (2015).

Duffort V., Talaie E., Black R., Nazar L.F., "Uptake of Co2 in Layered P2-Na0.67mn0.5fe0.5o2: Insertion of Carbonate Anions", Chemistry of Materials, 27, 7, 2515-2524 (2015).

Eckert J., Gourdon O.A., Jacob D.E., Meral C., Monteiro P.J., Vogel S.C., Wirth R., Wenk H.R., "Ordering of water in opals with different microstructures", European Journal of Mineralogy, 27, 203-213, 2 (2015).

Everett S.M., Rawn C.J., Chakoumakos B.C., Keffer D.J., Huq A., Phelps T.J., "Insights into the structure of mixed CO2\/CH4 in gas hydrates", American Mineralogist, 100, 1203-1208 (2015).

Fowler D.E., "Study of Chromite Perovskite Oxides as Solid Oxide Fuel Cell Anodes", Ph.D. Dissertation, Northwestern University (2015).

Hancock J.C., Chapman K.W., Halder G.J., Morelock C.R., Kaplan B.S., Gallington L.C., Bongiorno A., Han C., Zhou S., Wilkinson A.P., "Large negative thermal expansion and anomalous behavior on compression in cubic ReO3-type AIIBIVF6: CaZrF6 and CaHfF6", Chemistry of Materials, 27, 11, 3912–3918 (2015).

Harris C.M., "Structure, redox and transport properties of acceptor doped cerium niobates", Ph.D. Dissertation, Imperial College-London (2015).

He G., Bridges C.A., Manthiram A., "Crystal Chemistry of Electrochemically and Chemically Lithiated Layered #I-LiVOPO4", Chemistry of Materials, 27, 19, 6699–6707 (2015).

He Q., "Enhanced redox stability of titanium doped molybdenum dioxide", Ph.D. Dissertation, Washington State University (2015).

Hu S., "Corrosion-Resistant Transition Metal Oxides and Oxynitrides Evaluated as Potential Non-Noble Metal Electrocatalysts for the Oxygen Reduction Reaction", Ph.D. Dissertation, State University of New York at Stony Brook (2015).

Jacobs P., Houben A., Schweika W., Tchougreeff A.L., Dronskowski R., "A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data", Journal of Applied Crystallography, 48, 6, 1627-1636 (2015).

Kan W.H., Huq A., Manthiram A., "The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe3P5SiO19", Chemical Communications, 51, 52, 10447-10450 (2015).

Kan W.H., Huq A., Manthiram A., "Low-temperature Synthesis, Structural Characterization, and Electrochemistry of Ni-rich Spinel-like LiNi2-yMnyO4 (0.4 ≤ y ≤ 1)", Chemistry of Materials, 27, 22, 7729–7733 (2015).

Kathriarachchi V.W., "Effect of processing temperature on the properties of nanophase Fe-substituted Hydroxyapatite", Ph.D. Dissertation, Florida Atlantic University (2015).

Kottenhahn M., Jennings E., "ICDD Annual Spring Meetings", Powder Diffraction, 30, 3, 303-317 (2015).

Kumar C.M., Xiao Y., Lunkenheimer P., Loidl A., Ohl M., "Crystal structure, incommensurate magnetic order, and ferroelectricity in Mn1-x Cux WO4", Physical Review B, 91, 23, 235149 (2015).

Kundu D., Tripathi R., Popov G., Makahnouk W.R., Nazar L.F., "Synthesis, Structure, and Na-Ion Migration in Na4NiP2O7F2: A Prospective High Voltage Positive Electrode Material for the Na-Ion Battery", Chemistry of Materials, 27, 3, 885-891 (2015).

Laurita G., Page K., Suzuki S., Seshadri R., "Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3", Physical Review B, 92, 21, 214109 (2015).

Liang C., Rangasamy E., Dudney N.J., Keum J.K., Rondinone A.J., "High Conducting Oxide-Sulfide Composite Lithium Superionic Conductor", (2015).

Liu J., "Nitrogen-containing CUBICON ceramics and their applications for rechargeable batteries", Ph.D. Dissertation, State University of New York at Stony Brook (2015).

Ma J., Bo S.H., Wu L., Zhu Y., Grey C.P., Khalifah P.G., "Ordered and Disordered Polymorphs of Na(Ni2\/3sb1\/3) O2: Honeycomb-Ordered Cathodes for Na-Ion Betteries", Chemistry of Materials, 27, 7, 2387-2399 (2015).

Madiligama A., Ari-Gur P., Shavrov V., Koledov V.V., Ren Y., Calder S., Kayani A., "Effects of cobalt on the crystalline structures of the Ni-Mn-In giant magnetocaloric heusler alloys", Proceedings of the 2nd International Congress on Energy Efficiency and Energy Related Materials (ENEFM 2014), (2015).

Maughan A.E., Kurzman J.A., Neilson J.R., "Hybrid inorganic-organic materials with an optoelectronically active aromatic cation: (C7H7)2SnI6 and C7H7PbI3", Inorganic Chemistry, 54, 1, 370-378 (2015).

McLeod M.V., Giri A.K., Paterson B.A., Dennis C., Zhou L., Vogel S.C., Gourdon O.A., Reiche H.M., Cho K.C., Sohn Y.H., Shull R.D., Majumdar B.S., "Magnetocaloric response of non-stoichiometric Ni2MnGa alloys and the influence of crystallographic texture", Acta Materialia, 97, 245-256 (2015).

Miskowiec A., Kirkegaard M.C., Huq A., Mamontov E., Herwig K.W., Trowbridge L., Rondinone A.J., Anderson B., "Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates", Journal of Physical Chemistry A, 119, 49, 11900-11910 (2015).

Montasserasadi D., "New Dion-Jacobson and Ruddlesden-Popper Layered Perovskites Prepared by Topochemical Methods", Ph.D. Dissertation, University of New Orleans (2015).

Moorhead-Rosenberg Z., "Magnetic, Electronic, and Electrochemical Properties of High-Voltage Spinel Cathodes for Lithium-Ion Batteries", Ph.D. Dissertation, University of Texas at Austin (2015).

Moorhead-Rosenberg Z., Huq A., Goodenough J.B., Manthiram A., "Electronic and electrochemical properties of Li1-xMn1.5Ni0.5O4 spinel cathodes as a function of lithium content and cation ordering", Chemistry of Materials, 27, 20, 6934–6945 (2015).

Morrow R., "Competing Superexchange Interactions in Double Perovskite Osmates", Ph.D. Dissertation, Ohio State University (2015).

Morrow R., Susner M.A., Sumption M.D., Woodward P.M., "Magnetic structure of the quasi-one-dimensional La3OsO7 as determined by neutron powder diffraction", Physical Review B, 92, 13, 134402 (2015).

Morrow R., Yan J.Q., McGuire M.A., Freeland J.W., Haskel D., Woodward P.M., "Effects of chemical pressure on the magnetic ground states of the osmate double perovskites SrCaCoOsO6 and Ca2CoOsO6", Physical Review B, 92, 094435 (2015).

Mukhopadhyay S., Thompson T., Sakamoto J., Huq A., Wolfenstine J., Allen J.L., Bernstein N., Stewart D.A., Johannes M.D., "Structure and stoichiometry in supervalent doped Li7La3Zr2O12", Chemistry of Materials, 27, 10, 3658-3665 (2015).

Nhalil H., Nair H.S., Kumar C.M., Strydom A.M., Elizabeth S., "Ferromagnetism and the effect of free charge carriers on electric polarization in the double perovskite Y2NiMnO6", Physical Review B, 92, 21, 214426 (2015).

Peterson P.F., Campbell S.I., Reuter M.A., Taylor R.D., Zikovsky J., "Event-based processing of neutron scattering data", Nuclear Instruments and Methods in Physics Research Section A, 803, 24-28 (2015).

Phraewphiphat T., Iqbal M., Suzuki K., Matsuda Y., Yonemura M., Hirayama M., Kanno R., "Syntheses, structures, and Ionic conductivities of perovskite-structured lithium-strontium aluminum\/gallium-tantalum-oxides", Journal of Solid State Chemistry, 225, 431-437 (2015).

Rickert K., Huq A., Lapidus S., Wustrow A., Ellis D.E., Poeppelmeier K.R., "Site Dependency of the High Conductivity in Ga2In6Sn2O16: the Role of the 7-Coordinate Site", Chemistry of Materials, 27, 23, 8084–8093 (2015).

Rickert K., Sedefoglu N., Malo S., Caignaert V., Kavak H., Poeppelmeier K.R., "Structural, Electrical, and Optical Properties of the Tetragonal, Fluorite-Related Zn0.456In1.084Ge0.460O3", Chemistry of Materials, 27, 14, 5072–5079 (2015).

Ross K.A., Bordelon M.M., Terho G., Neilson J.R., "Nanosized helical magnetic domains in strongly frustrated Fe3PO4O3", Physical Review B, 92, 134419 (2015).

Ruther R.E., Zhou H., Dhital C., Saravanan K., Kercher A.K., Chen G., Huq A., Delnick F.M., Nanda J., "Synthesis, Structure, and Electrochemical Performance of High Capacity Li2Cu0.5Ni0.5O2 Cathodes", Chemistry of Materials, 27, 19, 6746-6754 (2015).

Santodonato L., Zhang Y., Feygenson M., Parish C.M., Gao M.C., Weber R.J., Neuefeind J., Tang Z., Liaw P.K., "Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy", Nature Communications, 6, 5964 (2015).

Seymour K.C., "Thermal expansion and phase transformation behavior in the rare-earth titanate system", Ph.D. Dissertation, University of Illinois at Urbana-Champaign (2015).

Shanmugam R., "Synthesis and characterizaton of inorganic materials for sodium-ion batteries", Ph.D. Dissertation, Michigan State University (2015).

Shi J., "Crystal Structure Studies, Electrical and Magnetic Properties of 2, 3, 4, 5-Layer Aurivillius Oxides", Ph.D. Dissertation, Alfred University (2015).

Silverstein H., "The Dugganites: A New Potentially Multiferroic Te6+-containing Subclass of the Langasites", Ph.D. Dissertation, University of Manitoba (2015).

Silverstein H., Huq A., Lee M., Choi E.S., Zhou H.D., Wiebe C.R., "Nuclear and magnetic Supercells in the multiferroic candidate: Pb3TeMn3P2O14", Journal of Solid State Chemistry, 221, 216-223 (2015).

Sturza M., Allred J.M., Malliakas C.D., Bugaris D.E., Han F., Chung D.Y., Kanatzidis M.G., "Tuning the magnetic properties of new layered iron chalcogenides (BaF)2Fe2-xQ3 (Q=S, Se) by changing the defect concentration on the iron sublattice", Chemistry of Materials, 27, 10, 3280-3290 (2015).

Taddei K.M., Sturza M., Chung D.Y., Cao H.B., Claus H., Kanatzidis M.G., Osborn R., Rosenkranz S., Chmaissem O., "Cesium vacancy ordering in phase-separated CsxFe2-ySe2", Physical Review B, 92, 9, 094505 (2015).

Talaie E., Duffort V., Smith H.L., Fultz B., Nazar L.F., "Structure of the High Voltage Phase of Layered P2-Na2\/3-x[Mn1\/2Fe1\/2]O2 and the Positive Effect of Ni Substitution on its Stability", Energy & Environmental Science, 8, 8, 2512-2523 (2015).

Taylor A.E., Morrow R., Singh D.J., Calder S., Lumsden M.D., Woodward P.M., Christianson A.D., "Magnetic Order and Electronic Structure of 5d3 Double Perovskite Sr2ScOsO6", Physical Review B, 91, 10, 100406 (2015).

Thompson T., Sharafi A., Johannes M.D., Huq A., Allen J.L., Wolfenstine J., Sakamoto J., "A Tale of Two Sites: On Defining the Carrier Concentration in Garnet-Based Ionic Conductors for Advanced Li Batteries", Advanced Energy Materials, 5, 11, 1500096 (2015).

Tomkiewicz A., Tamimi M.A., Huq A., McIntosh S., "Is the Surface Oxygen Exchange Rate Linked to Bulk Ion Diffusivity in Mixed Conducting Ruddlesden-Popper Phases?", Faraday Discussions, 182, 113-127 (2015).

Tomkiewicz A., Tamimi M.A., Huq A., McIntosh S., "Oxygen transport pathways in Ruddlesden-Popper structured oxides revealed via in situ neutron diffraction", Journal of Materials Chemistry A, 3, 43, 21864-21874 (2015).

Torres-Castro L., Shojan J., Julien C.M., Huq A., Dhital C., Paranthaman M.P., Katiyar R.S., Manivannan A., "Synthesis, characterization and electrochemical performance of Al-substituted Li2MnO3", Materials Science and Engineering B: Solid State Materials for Advanced Tech, 201, 13-22 (2015).

Woerner W.R., "In Situ Scattering and Modeling Approaches for the Discovery and Optimization of Novel Mineral-Inspired Materials", Ph.D. Dissertation, State University of New York at Stony Brook (2015).

Yiu Y., "Studies Of Strongly Correlated Electron Systems Using Neutron Scattering", Ph.D. Dissertation, University of Tennessee (2015).

Zhao P., Murshed M.M., Huq A., Grossmann H.K., Madler L., Alekseev E.V., Gesing T.M., "Nanoscale building blocks in a novel lithium are not tungsten bronze: Synthesis and characterization", Journal of Solid State Chemistry, 226, 81-87 (2015).

2014 53 Publications

al-Wahish A.B., "Neutron Scattering Studies of Phosphate Proton Conductors", Ph.D. Dissertation, University of Tennessee (2014).

Allred J.M., Taddei K.M., Bugaris D.E., Avci S., Chung D.Y., Claus H., dela Cruz C., Kanatzidis M.G., Rosenkranz S., Osborn R., Chmaissem O., "Coincident structural and magnetic order in BaFe2(As1-xPx)2 revealed by high-resolution neutron diffraction", Physical Review B, 90, 104513 (2014).

Anand V.K., Quirinale D.G., Lee Y.B., Harmon B.N., Furukawa Y., Ogloblichev V.V., Huq A., Abernathy D.L., Stephens P.W., McQueeney R.J., Kreyssig A., Goldman A.I., Johnston D.C., "Crystallography and physical properties of BaCo2As2, Ba0.94K0.06Co2As2, and Ba0.78K0.22Co2As2", Physical Review B, 90, 064517 (2014).

Baggetto L., Bridges C.A., Jumas J.C., Mullins D.R., Carroll K.J., Meisner R., Crumlin E., Liu X., Yang W., Veith G.M., "The Local Atomic Structure and Chemical Bonding in Sodium Tin Phases", Journal of Materials Chemistry A, 2, 44, 18959-18973 (2014).

Bhat S.M., Huq A., Swain D., Narayana C., Sundaram N.G., "Photoluminescence tuning of Na1-xKxNdW2O8 (0.0 ≤ x ≤ 0.7) nanoparticles: synthesis, crystal structure and Raman study", Physical Chemistry Chemical Physics, 16, 35, 18772-18780 (2014).

Bo S.H., "Transition Metal Borates as Cathode Materials for Rechargeable Batteries", Ph.D. Dissertation, State University of New York at Stony Brook (2014).

Bo S.H., Nam K.W., Borkiewicz O.J., Hu Y., Yang X.Q., Chupas P.J., Chapman K.W., Wu L., Zhang L., Wang F., Grey C.P., Khalifah P.G., "Structures of Delithiated and Degraded LiFeBO3, and Their Distinct Changes upon Electrochemical Cycling", Inorganic Chemistry, 53, 13, 6585-6595 (2014).

Brant J.A., dela Cruz C., Yao J.L., Douvalis A.P., Bakas T., Sorescu M., Aitken J.A., "Field-Induced Spin-Flop in Antiferromagnetic Semiconductors with Commensurate and Incommensurate Magnetic Structures: Li2FeGeS4 (LIGS) and Li2FeSnS4 (LITS)", Inorganic Chemistry, 53, 12265-12274 (2014).

Bugaris D.E., Hodges J.P., Huq A., Chance W.M., Heyden A., Chen F., zur Loye H.C., "Investigation of the high-temperature redox chemistry of Sr2Fe1.5Mo0.5O6-sigma via in situ neutron diffraction", Journal of Materials Chemistry A, 11, 4045-4054 (2014).

Burnett J.D., Gourdon O.A., Ranmohotti K.G., Takas N.J., Djieutedjeu H., Poudeu P.F., Aitken J.A., "Structure-property relationships along the Fe-substituted CuInS2 series: Tuning of thermoelectric and magnetic properties", Materials Chemistry and Physics, 147, 1-2, 17-27 (2014).

Cheng Y.Q., Bi Z., Huq A., Feygenson M., Bridges C.A., Paranthaman M.P., Sumpter B.G., "An integrated approach for structural characterization of complex solid state electrolytes: the case of lithium lanthanum titanate", Journal of Materials Chemistry A, 2, 7, 2418-2426 (2014).

Cottingham P., Miller D., Sheckelton J.P., Neilson J.R., Feygenson M., Huq A., McQueen T.M., "Dynamic charge disproportionation in the 1D chain material PdTeI", Journal of Materials Chemistry C, 2, 17, 3238 (2014).

Dashjav E., Tietz F., "Neutron Diffraction Analysis of NASICON-type Li1+xAlxTi2-xP3O12", Zeitschrift fur Anorganische und Allgemeine Chemie, 640, 15, 3070-3073 (2014).

Disch S., Hermann R.P., Wetterskog E., Podlesnyak A., An K., Hyeon T., Salazar-Alvarez G., Bergstrom L., Brueckel T., "Spin excitations in cubic maghemite nanoparticles studied by time-of-flight neutron spectroscopy", Physical Review B, 89, 064402 (2014).

Fobes D., Zaliznyak I.A., Xu Z., Zhong R., Gu G., Tranquada J.M., Harriger L.W., Singh D.K., Garlea V.O., Lumsden M.D., Winn B.L., "Ferro-orbital ordering transition in iron telluride Fe 1+yTe", Physical Review Letters, 112, 187202 (2014).

Gourdon O.A., Gottschlich M., Persson J., dela Cruz C., Petricek V., McGuire M.A., Brueckel T., "Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe4Si3 ", Journal of Solid State Chemistry, 216, 56 (2014).

Grajczyk R., "Structure-property relationships of YbFe\u2082O\u2084-type layered transition metal oxides", Ph.D. Dissertation, Oregon State University (2014).

Hao X., "Synthesis and Defect Structure Analysis ofComplex Oxides for Li-Ion Battery Electrodes", Ph.D. Dissertation, University of Michigan (2014).

Hao X., Lin X., Lu W., Bartlett B.M., "Oxygen Vacancies Lead to Loss of Domain Order, Particle Fracture, and Rapid Capacity Fade in Lithium Manganospinel (LiMn2O4) Batteries", Applied Materials & Interfaces, 6, 14, 10849-10857 (2014).

Harrison K.L., Bridges C.A., Segre C., Varnado Jr C.D., Applestone D., Bielawski C.W., Paranthaman M.P., Manthiram A., "Chemical and Electrochemical Lithiation of LiVOPO4 Cathodes for Lithium-Ion Batteries", Chemistry of Materials, 26, 12, 3849-3861 (2014).

Jalarvo N., Gourdon O.A., Ehlers G., Tyagi M., Kumar S.K., Dobbs K.D., Smalley R.J., Guise W.E., Ramirez-Cuesta A.J., Wildgruber C., Crawford M.K., "Structure and dynamics of octamethyl-POSS nanoparticles", Journal of Physical Chemistry C, 118, 10, 5579-5592 (2014).

Kim J.H., Huq A., Chi M., Pieczonka N.P., Lee E., Bridges C.A., Tessema M.M., Manthiram A., Persson K.A., Powell B.R., "Integrated Nano-Domains of Disordered and Ordered Spinel Phases in LiNi0.5Mn1.5O4 for Li-Ion Batteries", Chemistry of Materials, 26, 15, 4377-4386 (2014).

Laurita G., "Investigation of the Structural Influence on the Properties of Functional Inorganic Oxides", Ph.D. Dissertation, Oregon State University (2014).

Letourneau S., "Role of point defects in Perovskite microwave resonators", Master's Thesis, University of Illinois at Urbana-Champaign (2014).

Letourneau S., Zhen Z., Owens J., Tolman K., Ubic R., Kriven W., "Lattice constant prediction of defective rare earth titanate perovskites", Journal of Solid State Chemistry, 219, 99-107 (2014).

Li C.W., Ma J., Cao H.B., May A.F., Abernathy D.L., Ehlers G., Hoffmann C., Wang X.P., Hong T., Huq A., Gourdon O.A., Delaire O., "Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics", Physical Review B, 90, 214303 (2014).

Li M.R., Retuerto M., Walker D., Sarkar T., Stephens P.W., Mukherjee S., Dasgupta T.S., Hodges J.P., Croft M., Grams C.P., Hemberger J., Sanchez-Benitez J., Huq A., Saouma F.O., Jang J.I., Greenblatt M., "Magnetic-Structure-Stabilized Polarization in an Above-Room-Temperature Ferrimagnet", Angewandte Chemie International Edition, 53, 40, 10774-10778 (2014).

Li T., Liu Y.H., Chitara B., Goldberger J.E., "Li intercalation into 1D TiS2(en) chains", Journal of the American Chemical Society, 136, 8, 2986-2989 (2014).

Liu J., Chang D., Whitfield P., Janssen Y., Yu X., Zhou Y., Bai J., Ko J.Y., Nam K.W., Wu L., Zhu Y., Feygenson M., Amatucci G., VanderVen A., Yang X.Q., Khalifah P.G., "Ionic Conduction in Cubic Na3TiP3O9N, a Secondary Na-Ion Battery Cathode with Extremely Low Volume Change", Chemistry of Materials, 26, 10, 3295-3305 (2014).

Ma J., Delaire O., Specht E., May A.F., Gourdon O.A., Budai J.D., McGuire M.A., Hong T., Abernathy D.L., Ehlers G., Karapetrova E., "Phonon scattering rates and atomic ordering in Ag1-xSb1+xTe2+x(x=0,0.1,0.2) investigated with inelastic neutron scattering and synchrotron diffraction", Physical Review B, 90, 134303 (2014).

Malingowski A.C., "Structural and Optical Characterization of Semiconductors for Solar Water Splitting", Ph.D. Dissertation, State University of New York at Stony Brook (2014).

Mohanty D., Li J., Abraham D.P., Huq A., Payzant E.A., Wood D.L., Daniel C., "Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion", Chemistry of Materials, 26, 21, 6272-6280 (2014).

Montasserasadi D., Mohanty D., Huq A., Heroux L., Payzant E.A., Wiley J.B., "Topochemical synthesis of alkali-metal hydroxide layers within double- and triple-layered perovskites", Inorganic Chemistry, 53, 1773-1778 (2014).

Morelock C.R., "Thermal expansion, compressibility, and local structure of fluorides and oxyfluorides with the rhenium trioxide structure", Ph.D. Dissertation, Georgia Institute of Technology (2014).

Morrow R., Freeland J.W., Woodward P.M., "Probing the Links between Structure and Magnetism in Sr2-xCaxFeOsO6 Double Perovskites", Inorganic Chemistry, 53, 15, 7983-7992 (2014).

Murshed M.M., Mendive C.B., Curti M., Nenert G., Kalita P.E., Lipinska K., Cornelius A.L., Huq A., Gesing T.M., "Anisotropic lattice thermal expansion of PbFeBO4: A study by X-ray and neutron diffraction, Raman spectroscopy and DFT calculations", Materials Research Bulletin, 59, 170-178 (2014).

Nicholson D.M., Odbadrakh K., Shassere B.A., Rios O., Hodges J.P., Ludtka G.M., Porter W.D., Sefat A.S., Rusanu A., Brown G.M., Evans B.M., "Modeling and characterization of the magnetocaloric effect in Ni2MnGa materials", International Journal of Refrigeration, 37, 289-296 (2014).

Porter S., Huang Z., Woodward P.M., "A study of anion order\/disorder in RTaN2O (R = La, Ce, Pr) perovskite nitride oxides", Crystal Growth and Design, 14, 1, 117-125 (2014).

Reim J., Rosen E., Schweika W., Meven M., Leo N.R., Meier D., Fiebig M., Schmidt M., Kuo C.Y., Pi T.W., Hu Z., Valldor M., "Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo2Fe2O7", Journal of Applied Crystallography, 47, 6, 2038-2047 (2014).

Reinert A., "Quantification and Control of Inhomogeneity in Wurtzite (GaN) 1-x(ZnO)x Semiconductors for Visible Light Absorption", Ph.D. Dissertation, State University of New York at Stony Brook (2014).

Retuerto M., Sarkar T., Li M.R., Ignatov A., Croft M., Hodges J.P., Tran T.T., Halasyamani P.S., Greenblatt M., "Crystallographic and magnetic properties of Pb2-xBixIr2O7-o(0 = x = 2)", Materials Research Express, 1, 4, 046304 (2014).

Saccomanno M.R., "Synthesis and Characterization Studies of LiFeIn(PO4) Phases: Chemical relatives of battery cathode material lithium iron phosphate", Master's Thesis, State University of New York at Stony Brook (2014).

Tamimi M.A., McIntosh S., "High temperature in situ neutron powder diffraction of oxides", Journal of Materials Chemistry A, 2, 17, 6015-6026 (2014).

Tamimi M.A., Tomkiewicz A., "On the link between bulk and surface properties of mixed ion electron conducting materials Ln0.5Sr0.5C0.8Fe0.2O3-d (Ln = La,Pr, Nd)", Journal of Materials Chemistry A, 2, 18838 (2014).

Thompson T., "Synthesis and processing of materials for direct thermal-to-electric energy conversion and storage", Ph.D. Dissertation, Michigan State University (2014).

Thompson T., Wolfenstine J., Allen J.L., Johannes M.D., Huq A., David I.N., Sakamoto J., "Tetragonal vs. cubic phase stability in Al - free Ta doped Li7La3Zr2O12 (LLZO)", Journal of Materials Chemistry A, 2, 13431-13436 (2014).

Vasala S., Saadaoui H., Morenzoni E., Chmaissem O., Chan T.S., Chen J.M., Hsu Y.Y., Yamauchi H., Karppinen M., "Characterization of magnetic properties of Sr2CuWO6 and Sr2CuMoO6", Physical Review B, 89, 134419 (2014).

Wang Y., "Structure and Properties of Garnet-Type Lithium Ion Conductors Li7-Xla3zr2-Xtaxo12 and Their Applicability in Lithium-Ion Batteries", Ph.D. Dissertation, Michigan State University (2014).

Wang Y., Huq A., Lai W., "Insight into lithium distribution in lithium-stuffed garnet oxides through neutron diffraction and atomistic simulation: Li7-xLa3Zr2-xTaxO12 (x = 0-2) series", Solid State Ionics, 255, 39-49 (2014).

Wdowik U.D., Parlinski K., Rols S., Chatterji T., "Soft-phonon mediated structural phase transition in GeTe", Physical Review B, 89, 224306 (2014).

Xu J., "Designing and Diagnosing Novel Electrode Materials for Na- ion Batteries : : Potential Alternatives to Current Li-ion Batteries", Ph.D. Dissertation, University of California San Diego (2014).

Xu J., Lee D.H., Clement R.J., Yu X., Leskes M., Pell A.J., Pintacuda G., Yang X.Q., Grey C.P., Meng Y.S., "Identifying the critical role of Li subsitution in P2-Nax[LiyNizMn1-y-z]O2 (0 < x, y, z < 1) intercalation cathode materials for high-energy Na-ion batteries", Chemistry of Materials, 26, 1260-1269 (2014).

Yiu Y., Bonfa P., Sanna S., De Renzi R., Carretta P., McGuire M.A., Huq A., Nagler S.E., "Tuning the magnetic and structural phase transitions of PrFeAsO via Fe\/Ru spin dilution", Physical Review B, 90, 064515 (2014).

2013 46 Publications

Bergstrom Jr R., "Morphotropic Phase Boundaries in Tb1-xDyxFe2 Alloys", Ph.D. Dissertation, University of Maryland (2013).

Bergstrom R.J., Wuttig M., Cullen J., Zavalij P., Briber R., Dennis C., Garlea V.O., Laver M., "Morphotropic phase boundaries in ferromagnets: Tb1-xDyxFe2 alloys", Physical Review Letters, 111, 017203 (2013).

Bessas D., Rushchanskii K.Z., Kachlik M., Disch S., Gourdon O.A., Bednarcik J., Maca K., Sergueev I., Kamba S., Lezaic M., Hermann R.P., "Lattice instabilities in bulk EuTiO3", Physical Review B, 88, 144308 (2013).

Bridges C.A., Harrison K.L., Unocic R.R., Idrobo J.C., Paranthaman M.P., Manthiram A., "Defect chemistry of phospho-olivine nanoparticles synthesized by a microwave-assisted solvothermal process", Journal of Solid State Chemistry, 205, 197-204 (2013).

Burnett J.D., Xu T., Sorescu M., Strohmeier B.R., Sturgeon J., Gourdon O.A., Baroudi K., Yao J.L., Aitken J.A., "Location and oxidation state of iron in Fe-substituted CuInS2 chalcopyrites", Journal of Solid State Chemistry, 197, 279-287 (2013).

Caignaert V., Maignan A., Singh K., Simon C., Pralong V., Raveau B., Mitchell J.F., Zheng H., Huq A., Chapon L.C., "Gigantic magnetic-field-induced polarization and magnetoelectric coupling in a ferrimagnetic oxide CaBaCo4O7", Physical Review B, 88, 174403 (2013).

Carmack J.M., "Extending symmetry-mode analysis to determining magnetic superstructure symmetry", Ph.D. Dissertation, Brigham Young University (2013).

Cox-Galhotra R.A., Huq A., Hodges J.P., Kim J.H., Yu C., Wang X., Jacobson A.J., McIntosh S., "Visualizing oxygen anion transport pathways in NdBaCo2O5+sigma by in situ neutron diffraction", Journal of Materials Chemistry A, 1, 9, 3091-3100 (2013).

Cox-Galhotra R.A., Huq A., Hodges J.P., Yu C., Wang X., Gong W., Jacobson A.J., McIntosh S., "An in-situ neutron diffraction study of the crystal structure of PrBaCo2O5 + delta at high temperature and controlled oxygen partial pressure", Solid State Ionics, 249-250, 34-40 (2013).

Everett S.M., "Structural and kinetic studies of structure I gas hydrates via low temperature X-ray diffraction and high resolution neutron diffraction", Ph.D. Dissertation, University of Tennessee (2013).

Fry-Petit A.M., Woodward P.M., "The structures of alpha-K3MoO3F3 and alpha-Rb3MoO3F3: ferroelectricity from anion ordering and non cooperative octahedral tilting", Crystal Growth and Design, 13, 12, 5404-5410 (2013).

Gesing T.M., Mendive C.B., Curti M., Hansmann D., Nenert G., Kalita P.E., Lipinska K., Huq A., Cornelius A.L., Murshed M.M., "Structural properties of mullite-type Pb(Al1-xMnx)BO4", Zeitschrift fur Kristallographie, 228, 10, 532-543 (2013).

Gottschlich M., "Structure, magnetism and excitations in some Mn-based magnetocaloric effect compounds", Ph.D. Dissertation, RWTH Aachen University (2013).

Grajczyk R., Berthelot R., Muir S., Sleight A.W., Subramanian M.A., "Structural and magnetic investigation of Fe3+andMg2+substitution into the trigonal bipyramidal site of InGaCuO4", Journal of Solid State Chemistry, 199, 102-108 (2013).

Hoepfner V., Jacobs P., Sawinski P.K., Houben A., Reim J., Dronskowski R., "RbCN3H4 and CsCN3H4: a neutron powder and single-crystal X-ray diffraction study", Zeitschrift fur Anorganische und Allgemeine Chemie, 639, 7, 1232-1236 (2013).

Iqbal M., Kobayashi G., Hirayama M., Kanno R., "Synthesis, structure and electrochemical properties of layered La2Li2x(CO3)1-xO2+2x", Journal of Solid State Chemistry, 206, 14-19 (2013).

Jacobs P., Houben A., Tchougreeff A.L., Dronskowski R., "High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature", Journal of Chemical Physics, 139, 224707 (2013).

Jalarvo N., Gourdon O.A., Bi Z., Gout D.J., Ohl M., Paranthaman M.P., "Atomic scale picture of the ion conduction mechanism in tetrahedral network of lanthanum barium gallate", Chemistry of Materials, 25, 14, 2741-2748 (2013).

Jiang P., Li J., Ozarowski A., Sleight A.W., Subramanian M.A., "Intense turquoise and green colors in brownmillerite-type oxides based on Mn5+ in Ba2In2-xMnxO5+x", Inorganic Chemistry, 52, 3, 1349-1357 (2013).

Johnson J.A., "Studies of reaction processes for voloxidation methods", Ph.D. Dissertation, University of Tennessee (2013).

Lee D.H., "Beyond conventional cathode materials for lithium-ion batteries and sodium-ion batteries nickel fluoride conversion materials and P2 type sodium ion intercalation cathodes", Ph.D. Dissertation, University of California San Diego (2013).

Lee E., Huq A., Manthiram A., "Understanding the effect of synthesis temperature on the structural and electrochemical characteristics of layered-spinel composite cathodes for lithium-ion batteries", Journal of Power Sources, 240, 193-203 (2013).

Lee J., "Neutron Scattering Study on BiS2-based Superconductors", Ph.D. Dissertation, University of Virginia (2013).

Lee J., Stone M.B., Huq A., Yildirim T., Ehlers G., Mizuguchi Y., Miura O., Takano Y., Deguchi K., Demura S., Lee S.H., "Crystal structure, lattice vibrations, and superconductivity of LaO1-xFxBiS2", Physical Review B, 87, 205134 (2013).

Ma J., Delaire O., May A.F., Carlton C.E., McGuire M.A., VanBebber L.H., Abernathy D.L., Ehlers G., Hong T., Huq A., Tian W., Keppens V., Shao-Horn Y., Sales B.C., "Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2", Nature Nanotechnology, 8, 445–451 (2013).

Minnich A.J., "Naturally glassy crystals", Nature Nanotechnology, 8, 392-393 (2013).

Mohanty D., Huq A., Payzant E.A., Sefat A.S., Li J., Abraham D.P., Wood D.L., Daniel C., "Neutron diffraction and magnetic susceptibility studies on a high-voltage Li1.2Mn0.55Ni0.15Co0.10O2 lithium-ion battery cathode; an insight to the crystal structure", Chemistry of Materials, 25, 20, 4064-4070 (2013).

Morrow R., Mishra R., Restrepo O.D., Ball M.R., Windl W., Wurmehl S., Stockert U., Buechner B., Woodward P.M., "Independent ordering of two interpenetrating magnetic sublattices in the double perovskite Sr2CoOsO6", Journal of the American Chemical Society, 135, 50, 18824-18830 (2013).

Nichols E.J., Shi J., Huq A., Vogel S.C., Misture S.T., "Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides", Journal of Solid State Chemistry, 197, 475-482 (2013).

Omenya F., Chernova N.A., Wang Q., Zhang R., Whittingham M.S., "The structural and electrochemical impact of Li and Fe site substitution in LiFePO4", Chemistry of Materials, 25, 13, 2691-2699 (2013).

Phelan D., Suzuki Y., Wang S., Huq A., Leighton C., "Structural, transport, and magnetic properties of narrow bandwidth Nd1-xCaxCoO3-delta and comparisons to Pr1-xCaxCoO3-delta", Physical Review B, 88, 075119 (2013).

Pieczonka N.P., Liu Z., Huq A., Kim J.H., "Comparative study of LiMnPO4\/C cathodes synthesized by polyol and solid-state reaction methods for Li-ion batteries", Journal of Power Sources, 230, 122-129 (2013).

Quirinale D.G., Anand V.K., Kim M.G., Pandey A., Huq A., Stephens P.W., Heitmann T.W., Kreyssig A., McQueeney R.J., Johnston D.C., Goldman A.I., "Crystal and magnetic structure of CaCo1.86As2 studied by x-ray and neutron diffraction", Physical Review B, 88, 174420 (2013).

Ramezanipour F., Shishkin M., Singh K., Hodges J.P., Ziegler T., Thangadurai V., "Interstitial oxygens and cation deficiency in Mo-doped ceria, an anode material for SOFCs", Journal of Materials Chemistry A, 1, 8344-8347 (2013).

Retuerto M., Li M.R., Go Y.B., Ignatov A., Croft M., Ramanujachary K.V., Herber R.H., Nowik I., Hodges J.P., Dachraoui W., Hadermann J., Greenblatt M., "Corrigendum to \"High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0)\" [J. Solid State Chem. 194 (2012) 48-58]", Journal of Solid State Chemistry, 198, 246 (2013).

Retuerto M., Li M.R., Ignatov A., Croft M., Ramanujachary K.V., Chi S.X., Hodges J.P., Dachraoui W., Hadermann J., Tran T.T., Halasyamani P.S., Grams C.P., Hemberger J., Greenblatt M., "Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites", Inorganic Chemistry, 52, 21, 12482-12491 (2013).

Silverstein H., Sharma A.Z., Cruz-Kan K., Zhou H.D., Huq A., Flacau R., Wiebe C.R., "Complex long-range magnetic ordering in the Mn-bearing dugganite Pb3TeMn3P2O14", Journal of Solid State Chemistry, 150, 102-107 (2013).

Silverstein H., Sharma A.Z., Stoller A.J., Cruz-Kan K., Flacau R., Donaberger R.L., Zhou H.D., Manuel P., Huq A., Kolesnikov A.I., Wiebe C.R., "Phase diagram and magnetic structures of the Co-bearing dugganites Pb3TeCo3A2O14 (A = V, P)", Journal of Physics: Condensed Matter, 25, 246004 (2013).

Somaily H.M., "Structural and thermoelectric properties of A-site substituted (Sr1-x-yCaxNdy)TiO3 perovskites", Master's Thesis, Northern Illinois University (2013).

Tomkiewicz A., Tamimi M.A., Huq A., McIntosh S., "Evidence for the low oxygen stoichiometry of cubic Ba0.5Sr0.5Co0.5Fe0.5O3-delta from in-situ neutron diffraction", Solid State Ionics, 253, 27-31 (2013).

Tripathi R., "Novel high voltage electrodes for Li-ion batteries", Ph.D. Dissertation, University of Waterloo (2013).

Tripathi R., Popov G., Sun X., Nazar L.F., "Ultra-rapid microwave synthesis of triplite LiFeSO4F", Journal of Materials Chemistry A, 1, 2990-2994 (2013).

Wang C.L., Clonts L., Diawara Y., Hannan B.W., Hodges J.P., "Elimination of ghosting artifacts from wavelength-shifting fiber neutron detectors", Review of Scientific Instruments, 84, 013308 (2013).

Wang L., Cao B., Kang W., Hybertsen M., Maeda K., Domen K., Khalifah P.G., "Design of medium band gap Ag-Bi-Nb-O and Ag-Bi-Ta-O semiconductors for driving direct water splitting with visible light", Inorganic Chemistry, 52, 16, 9192-9205 (2013).

Wang R., He X., He L., Wang F., Xiao R., Gu L., Li H., Chen L., "Atomic structure of Li2MnO3 after partial delithiation and re-lithiation", Advanced Energy Materials, 3, 10, 1358-1367 (2013).

Zhao L.L., Wu S., Wang J.K., Hodges J.P., Broholm C., Morosan E., "Quasi-two-dimensional noncollinear magnetism in the Mott insulator Sr2F2Fe2OS2", Physical Review B, 87, 020406 (2013).

2012 26 Publications

Avci S., Chmaissem O., Zheng H., Huq A., Khalyavin D., Stephens P.W., Suchomel M.R., Manuel P., Mitchell J.F., "Kinetic control of structural and magnetic states in LuBaCo4O7", Physical Review B, 85, 094414 (2012).

Chen Y., Orlovskaya N., Klimov M., Huang X., Cullen D., Graule T., Kuebler J., "Layered YSZ\/SCSZ\/YSZ electrolytes for intermediate temperature SOFC part I: design and manufacturing", Fuel Cells, 12, 5, 722-731 (2012).

Delaire O., Stone M.B., Ma J., Huq A., Gout D.J., Brown C.M., Wang K.F., Ren Z.F., "Anharmonic phonons and magnons in BiFeO3", Physical Review B, 85, 064405 (2012).

Ehlers G., Huq A., Diallo S.O., Adriano C., Rule K.C., Cornelius A.L., Fouquet P., Pagliuso P.G., Gardner J.S., "Low energy spin dynamics in the spin ice Ho2Sn2O7", Journal of Physics: Condensed Matter, 24, 076005 (2012).

Gatimu A.J., "Structure-property relationships in oxides containing select platinum group metals", Ph.D. Dissertation, Oregon State University (2012).

Gottschilch M., Gourdon O.A., Persson J., dela Cruz C., Petricek V., Brueckel T., "Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material", Journal of Materials Chemistry, 22, 15275-15284 (2012).

Grajczyk R., Biswas K., Berthelot R., Li J., Sleight A.W., Subramanian M.A., "Substitutions into the trigonal bipyramidal site of InGaCuO4", Journal of Solid State Chemistry, 187, 6, 258-263 (2012).

Hao X., Gourdon O.A., Liddle B.J., Bartlett B.M., "Improved electrode kinetics in lithium manganospinel nanoparticles synthesized by hydrothermal methods: identifying and eliminating oxygen vacancies", Journal of Materials Chemistry, 22, 1578-1591 (2012).

Jiang P., "Structure-property relationships of oxides with hexagonal AMO3 and brownmillerite related structures", Ph.D. Dissertation, Oregon State University (2012).

Johnson J.A., Rawn C.J., Del Cul G.D., Spencer B.B., Collins E.D., "Kinetic studies of NO2 oxidation of uranium oxides by in situ XRD and neutron diffraction", Transactions of the American Nuclear Society, 107, 1, 243-245 (2012).

Kolesnik S., Dabrowski B., Chmaissem O., Avci S., Hodges J.P., Avdeev M.V., Swierczek K., "Enhancement of the Curie temperature in NdBaCo2O5.5 by A-site Ca substitution", Physical Review B, 86, 064434 (2012).

Lee E., "Structural and electrochemical characterization of high-energy oxide cathodes for lithium ion batteries", Ph.D. Dissertation, University of Texas at Austin (2012).

Lee E., Huq A., Chang H.Y., Manthiram A., "High-voltage, high-energy layered-spinel composite cathodes with superior cycle life for lithium-ion batteries", Chemistry of Materials, 24, 3, 600-612 (2012).

Malingowski A.C., Stephens P.W., Huq A., Huang Q.Z., Khalid S., Khalifah P.G., "Substitutional mechanism of Ni into the wide-band-gap semiconductor InTaO4 and its implications for water splitting activity in the wolframite structure type", Inorganic Chemistry, 51, 11, 6096-6103 (2012).

May A.F., McGuire M.A., Ma J., Delaire O., Huq A., Custelcean R., "Properties of single crystalline AZn2Sb2 (A= Ca, Eu, Yb)", Journal of Applied Physics, 111, 33708 (2012).

May A.F., McGuire M.A., Ma J., Delaire O., Huq A., Singh D.J., Cai W., Wang H., "Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2", Physical Review B, 85, 35202 (2012).

Munoz-Garcia A.B., Bugaris D.E., Pavone M., Hodges J.P., Huq A., Chen F., zur Loye H.C., Carter E.A., "Unveiling structure-property relationships in Sr2Fe1.5Mo0.5O6-, an electrode material for symmetric solid oxide fuel cells", Journal of the American Chemical Society, 134, 6826-6833 (2012).

Nicholson D.M., Odbadrakh K., Shassere B.A., Rios O., Hodges J.P., Ludtka G.M., Porter W.D., Sefat A.S., Rusanu A., Evans B.M., "Modeling and characterization of the magnetocaloric effect in Ni2MnGa materials", Fifth IIF-IIR International Conference on Magnetic Refrigeration at Room Temperature, Thermag V, Grenoble, France, 17-20 September 2012, Proceedings of THERMAG V, (2012).

Niedziela J., "Structure and dynamics of high temperature superconductors", Ph.D. Dissertation, University of Tennessee (2012).

Retuerto M., Li M.R., Go Y.B., Ignatov A., Croft M., Ramanujachary K.V., Hadermann J., Hodges J.P., Herber R.H., Nowik I., Greenblatt M., "Magnetic and structural studies of the multifunctional material SrFe0.75Mo0.25O3-delta", Inorganic Chemistry, 51, 22, 12273-12280 (2012).

Retuerto M., Li M.R., Go Y.B., Ignatov A., Croft M., Ramanujachary K.V., Herber R.H., Nowik I., Hodges J.P., Dachraoui W., Hadermann J., Greenblatt M., "High magnetic ordering temperature in the perovskites Sr4-xLaxFe3ReO12 (x=0.0, 1.0, 2.0)", Journal of Solid State Chemistry, 194, 48-58 (2012).

Sheckelton J.P., Neilson J.R., Soltan D.G., McQueen T.M., "Possible valence-bond condensation in the frustrated cluster magnet LiZn2Mo3O8", Nature Materials, 11, 493-496 (2012).

Shin D.W., Bridges C.A., Huq A., Paranthaman M.P., Manthiram A., "Role of cation ordering and surface-segregation in high-voltage spinel LiMn1.5Ni0.5-xMxO4 (M = Cr, Fe, and Ga) cathodes for lithium-ion batteries", Chemistry of Materials, 24, 19, 3720-3731 (2012).

Tchougreeff A.L., Liu X., Mueller P., van Beek W., Ruschewitz U., Dronskowski R., "Structural study of CuNCN and its theoretical implications: a case of a resonating-valence-bond state?", Journal of Physical Chemistry Letters, 3, 3360-3366 (2012).

Tripathi R., Popov G., Ellis B.L., Huq A., Nazar L.F., "Lithium metal fluorosulfate polymorphs as positive electrodes for Li-ion batteries: synthetic strategies and effect of cation ordering", Energy & Environmental Science, 5, 6238-6246 (2012).

Yiu Y., Garlea V.O., McGuire M.A., Huq A., Mandrus D., Nagler S.E., "Neutron diffraction study and anomalous negative thermal expansion in nonsuperconducting PrFe1-xRuxAsO", Physical Review B, 86, 054111 (2012).

2011 6 Publications

Bridges C.A., Sefat A.S., Payzant E.A., Cranswick L.M., Paranthaman M.P., "Structure and magnetic order in the series BixRE1-xFe0.5Mn0.5O3 (RE=La,Nd)", Journal of Solid State Chemistry, 184, 4, 830-842 (2011).

Bugaris D.E., Hodges J.P., Huq A., zur Loye H.C., "Crystal growth, structures, and optical properties of the cubic double perovskites Ba2MgWO6 and Ba2ZnWO6", Journal of Solid State Chemistry, 184, 8, 2293-2298 (2011).

Dutton S.E., Climent-Pascual E., Stephens P.W., Hodges J.P., Huq A., Broholm C., Cava R.J., "Helical magnetism and structural anomalies in triangular lattice alpha-SrCr2O4", Journal of Physics: Condensed Matter, 23, 246005 (2011).

Huq A., Hodges J.P., Gourdon O.A., Heroux L., "POWGEN: a third-generation high resolution high-throughput powder diffraction instrument at the Spallation Neutron Source", Zeitschrift fur Kristallographie, 1, 127-135 (2011).

Jiang Y., Huq A., Booth C.H., Ehlers G., Greedan J.E., Gardner J.S., "Order and disorder in the local and long-range structure of the spin-glass pyrochlore, Tb2Mo2O7", Journal of Physics: Condensed Matter, 23, 164214 (2011).

Stone M.B., Podlesnyak A., Ehlers G., Huq A., Samulon E.C., Shapiro M.C., Fisher I.R., "Persistence of magnons in a site-diluted dimerized frustrated antiferromagnet", Journal of Physics: Condensed Matter, 23, 416003 (2011).

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Publications from Research Conducted at POWGEN

2024 60 Publications

2023 66 Publications

2022 73 Publications

2021 71 Publications

2020 62 Publications

2019 63 Publications

2018 63 Publications

2017 49 Publications

2016 69 Publications

2015 67 Publications

2014 53 Publications

2013 46 Publications

2012 26 Publications

2011 6 Publications

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