Vibrational Spectrometer (VISION)

Publications from Research Conducted at VISION

The following 143 publications were retrieved from PuSH (Publications of SNS and HFIR)

2021 19 Publications

Barboun P.M., Daemen L.L., Waitt C., Wu Z., Schneider W.F., Hicks J.C., "Inelastic Neutron Scattering Observation of Plasma-Promoted Nitrogen Reduction Intermediates on Ni/γ-Al2O3", ACS Energy Letters, 6, 2048–2053 (2021).
Cai Q., McIntire M., Daemen L.L., Li C.W., Chronister E.L., "Pressure- and temperature-dependent inelastic neutron scattering study of the phase transition and phonon lattice dynamics in para-terphenyl", Physical Chemistry Chemical Physics, 23, 8792-8799 (2021).
Chapman C.W., Ramic K., Hu X., Brown J.M., Arbanas G., Kolesnikov A.I., Abernathy D.L., Daemen L.L., Ramirez-Cuesta A.J., Cheng Y.Q., Stone M.B., Liu L., Danon Y., "Thermal neutron scattering measurements and modeling of yttrium-hydrides for high temperature moderator applications", Annals of Nuclear Energy, 157, 108224 (2021).
de Falco G., Florent M., Jagiello J., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Bandosz T.J., "Alternative view of oxygen reduction on porous carbon electrocatalysts: the substance of complex oxygen-surface interactions", iScience, 24, 3, 102216 (2021).
Han X.D., Lu W., Chen Y., da Silva I., Li J., Lin L., Li W., Sheveleva A.M., Godfrey H.G., Lu Z., Tuna F., McInnes E.J., Cheng Y.Q., Daemen L.L., McPherson L.J., Teat S.J., Frogley M.D., Rudic S., Manuel P., Ramirez-Cuesta A.J., Yang S., Schroder M., "High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host–Guest Binding", Journal of the American Chemical Society, 143, 8, 3153–3161 (2021).
Harrelson T.F., Dettmann M., Scherer C., Andrienko D., Moule A.J., Faller R., "Computing inelastic neutron scattering spectra from molecular dynamics trajectories", Scientific Reports, 11, 7938 (2021).
Larsen G.S., Cheng Y.Q., Daemen L.L., Lamichhane T.N., Hensley D.K., Hong K., Meyer III H.M., Monaco S.J., Levine A.M., Lee R.J., Betters E., Sitzlar K., Heineman J., West J., Lloyd P., Kunc V., Love L.J., Theodore M., Paranthaman M.P., "Polymer, Additives, and Processing Effects on N95 Filter Performance", ACS Applied Polymer Materials, 3, 2, 1022–1031 (2021).
Lin L., Fan M., Sheveleva A.M., Han X.D., Tang Z., Carter J.H., de Silva I., Parlett C.M., Tuna F., McInnes E.J., Sastre G., Rudic S., Cavaye H., Parker S.F., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Attfield M., Liu Y., Tang C.C., Han B., Yang S., "Control of zeolite microenvironment for propene synthesis from methanol", Nature Communications, 12, 822 (2021).
Liu S., Han X.D., Chai Y., Wu G., Li W., Li J., da Silva I., Manuel P., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Shi W., Guan N., Yang S., Li L., "Efficient separation of acetylene and carbon dioxide in a decorated zeolite", Angewandte Chemie International Edition, 133, 12, 6600-6606 (2021).
Mamontov E., Cheng Y.Q., Daemen L.L., Kolesnikov A.I., Ramirez-Cuesta A.J., Ryder M.R., Stone M.B., "Low rotational barriers for the most dynamically active methyl groups in the proposed antiviral drugs for treatment of SARS-CoV-2, apilimod and tetrandrine", Chemical Physics Letters, 777, 138727 (2021).
Marsh C., Han X.D., Li J., Lu Z., Argent S.P., da Silva I., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Thompson S., Blake A.J., Yang S., Schroder M., "Exceptional Packing Density of Ammonia in a Dual-Functionalized Metal–Organic Framework", Journal of the American Chemical Society, 143, 17, 6586–6592 (2021).
McFarlane J., Anovitz L.M., Cheshire M.C., DiStefano V.H., Bilheux H.Z., Bilheux J., Daemen L.L., Hale R., Howard R.L., Ramirez-Cuesta A.J., Santodonato L., Bleuel M., Hussey D.S., Jacobson D.L., LaManna J.M., Perfect E., Qualls L., "Water Migration and Swelling in Engineered Barrier Materials for Radioactive Waste Disposal", Nuclear Technology, (2021).
Moura N.S., Bajgiran K.R., Roman C.L., Daemen L.L., Cheng Y.Q., Lawrence J., Melvin A.T., Dooley K.M., Dorman J.A., "Catalytic Enhancement of Inductively Heated Fe3O4 Nanoparticles via Removal of Surface Ligands", ChemSusChem, 14, 4, 1122-1130 (2021).
Okada E., "Emergence and Dynamism of New Material Sciences", 105-129 Management of Science-Intensive Organizations Springer International (2021).
Ramirez-Cuesta A.J., Cheng Y.Q., "The ICEMAN, a heterogeneous platform for analysis of neutron scattering data", Neutron News, 32, 15-16 (2021).
Xue Z., Bone A.N., Widener C.N., Moseley D.H., Liu Z., Lu Z., Cheng Y.Q., Daemen L.L., Ozerov M., Telser J., Thirunavukkuarasu K., Smirnov D., Greer S.M., Hill S., Krzystek J., Holldack K., Aliabadi A., Schnegg A., Dunbar K.R., "Applying Unconventional Spectroscopies to the Single‐Molecule Magnets, Co(PPh3)2X2 (X = Cl, Br, I): Unveiling Magnetic Transitions and Spin‐Phonon Coupling", Chemistry - A European Journal, (2021).
Yang G., Li X., Cheng Y.Q., Wang M., Ma D., Sokolov A.P., Kalinin S.V., Veith G.M., Nanda J., "Distilling nanoscale heterogeneity of amorphous silicon using tip-enhanced Raman spectroscopy (TERS) via multiresolution manifold learning", Nature Communications, 12, 578 (2021).
Zheng Q., Feng T., Hachtel J., Ishikawa R., Cheng Y.Q., Daemen L.L., Xing J., Idrobo J.C., Yan J.Q., Shibata N., Ikuhara Y., Sales B.C., Pantelides S.T., Chi M., "Direct visualization of anionic electrons in an electride reveals inhomogeneities", Science Advances, 7, eabe6819 (2021).

2020 32 Publications

Borgschulte A., Terreni J., Billeter E., Daemen L.L., Cheng Y.Q., Pandey A., Łodziana Z., Hemley R.J., Ramirez-Cuesta A.J., "Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides", Proceedings of the National Academy of Sciences of the United States of America, 117, 4021-4026 (2020).
Bowden M.E., Ginovska B., Jones M.O., Karkamkar A.J., Ramirez-Cuesta A.J., Daemen L.L., Schenter G.K., Miller S.A., Repo T., Chernichenko K., Leick N., Martinez M.B., Autrey T., "Heterolytic Scission of Hydrogen Within a Crystalline Frustrated Lewis Pair", Inorganic Chemistry, 59, 20, 15295–15301 (2020).
Chai Y., Han X.D., Li W., Liu S., Yao S., Wang C., Shi W., da Silva I., Manuel P., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Tang C.C., Jiang L., Yang S., Guan N., Li L., "Control of zeolite pore interior for chemoselective alkyne/olefin separations", Science, 368, 1002-1006 (2020).
Chapman C.W., Hu X., Brown J.M., Arbanas G., Kolesnikov A.I., Cheng Y.Q., Daemen L.L., "Thermal Neutron Scattering Measurements of YHx for the Transformational Challenge Reactor", Transactions of the American Nuclear Society, 122, 783-786 (2020).
Chapman C.W., Ramic K., Hu X., Brown J.M., Arbanas G., Kolesnikov A.I., Abernathy D.L., Daemen L.L., Ramirez-Cuesta A.J., Cheng Y.Q., Stone M.B., Liu L., Danon Y., "Thermal Neutron Scattering Evaluation of Yttrium Hydride - FY2020 Progress", Oak Ridge National Laboratory ORNL/TM-2020/1666 (2020).
Chen S., Coleman D., Abernathy D.L., Banerjee A., Daemen L.L., Mangolini L., Li C.W., "Giant low-temperature anharmonicity in silicon nanocrystals", Physical Review Materials , 4, 056001 (2020).
Cheng Y.Q., Kolesnikov A.I., Ramirez-Cuesta A.J., "Simulation of Inelastic Neutron Scattering Spectra Directly from Molecular Dynamics Trajectories", Journal of Chemical Theory and Computation, 16, 12, 7702–7708 (2020).
Cuadrado-Collados C., Majid A.A., Martinez-Escandell M., Daemen L.L., Missyul A., Koh C., Albero J.S., "Freezing/melting of water in the confined nanospace of carbon materials: Effect of an external stimulus", Carbon, 158, 346-355 (2020).
Cuadrado-Collados C., Mouchaham G., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., Aggarwal H., Missyul A., Eddaoudi M., Belmabkhout Y., Silvestre-Albero J., "Quest for an optimal methane hydrates formation in the pores of hydrolytically stable MOFs", Journal of the American Chemical Society, 142, 13391-13397 (2020).
Dajnowicz S., Cheng Y.Q., Daemen L.L., Weiss K., Gerlits O., Mueser T.C., Kovalevsky A., "Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics", ACS Omega, 5, 18787-18797 (2020).
Dantanarayana V., Nematiaram T., Vong D., Anthony J.E., Troisi A., Cong K.N., Goldman N., Faller R., Moule A.J., "Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials", Journal of Chemical Theory and Computation, 16, 3494-3503 (2020).
Duong T.D., Sapchenko S.A., da Silva I., Godfrey H.G., Cheng Y.Q., Daemen L.L., Manuel P., Frogley M.D., Cinque G., Ramirez-Cuesta A.J., Yang S., Schroder M., "Observation of binding of carbon dioxide to nitro-decorated metal–organic frameworks", Chemical Science, 11, 5339-5346 (2020).
Eklof-Osterberg C., Mazzei L., Granhed E.J., Wahnström G., Nedumkandathil R., Haussermann U., Jaworski A., Pell A.J., Parker S.F., Jalarvo N., Börjesson L., Karlsson M., "The role of oxygen vacancies on the vibrational motions of hydride ions in the oxyhydride of barium titanate", Journal of Materials Chemistry A, 8, 6360 (2020).
Gong K., "Alkali-Activated Slags: Mechanisms of Formation and Sulfate-Induced Degradation", Ph.D. Dissertation, Princeton University (2020).
Hood Z.D., Cheng Y.Q., Evans S.F., Adhikari S., Paranthaman M.P., "Unraveling the structural properties and dynamics of sulfonated solid acid carbon catalysts with neutron vibrational spectroscopy", Catalysis Today, 358, 387-393 (2020).
Jafar A., Klobes B., Sergueev I., Moseley D.H., Manley M.E., Dronskowski R., Deringer V.L., Stoffel R.P., Bessas D., Chumakov A.I., Ruffer R., Mahmoud A., Bridges C.A., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., Hermann R.P., "Phonon Spectroscopy in Antimony and Tellurium Oxides", Journal of Physical Chemistry A, 124, 7869-7880 (2020).
Kammert J., Moon J., Cheng Y.Q., Daemen L.L., Irle S., Fung V., Liu J., Page K., Ma X., Phaneuf V., Tong J., Ramirez-Cuesta A.J., Wu Z., "Nature of Reactive Hydrogen for Ammonia Synthesis over a Ru/C12A7 Electride Catalyst", Journal of the American Chemical Society, 142, 7655-7667 (2020).
Kneller D.W., Galanie S., Phillips G., O'Neill H.M., Coates L., Kovalevsky A., "Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals", Structure, 28, 12, 1313-1320.e3 (2020).
Lin L., Sheveleva A.M., da Silva I., Parlett C.M., Tang Z., Liu Y., Fan M., Han X.D., Carter J.H., Tuna F., McInnes E.J., Cheng Y.Q., Daemen L.L., Rudic S., Ramirez-Cuesta A.J., Tang C.C., Yang S., "Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite", Nature Materials, 19, 86-93 (2020).
Liu T., Liu T., Daemen L.L., Kolesnikov A.I., Anovitz L.M., Hartl M., Cole D.R., "Vibrational Behavior of Water Adsorbed on Forsterite (Mg2SiO4) Surface", ACS Earth and Space Chemistry, 4, 1050–1063 (2020).
Mamontov E., Cheng Y.Q., Daemen L.L., Keum J.K., Kolesnikov A.I., Pajerowski D.M., Podlesnyak A.A., Ramirez-Cuesta A.J., Ryder M.R., Stone M.B., "Effect of Hydration on the Molecular Dynamics of Hydroxychloroquine Sulfate", ACS Omega, 5, 21231-21240 (2020).
Mamontov E., Cheng Y.Q., Daemen L.L., Kolesnikov A.I., Ramirez-Cuesta A.J., Ryder M.R., Stone M.B., "Hydration-Induced Disorder Lowers the Energy Barriers for Methyl Rotation in Drug Molecules", Journal of Physical Chemistry Letters, 11, 23, 10256−10261 (2020).
Manley M.E., Hong K., Yin P., Chi S.X., Cai Y., Hua C., Daemen L.L., Hermann R.P., Wang H., May A.F., Asta M.D., Ahmad M., "Giant isotope effect on phonon dispersion and thermal conductivity in methylammonium lead iodide", Science Advances, 6, 31, eaaz1842 (2020).
Moon J., Cheng Y.Q., Daemen L.L., Li M., Polo-Garzon F., Ramirez-Cuesta A.J., Wu Z., "Discriminating the Role of Surface Hydride and Hydroxyl for Acetylene Semi-Hydrogenation over Ceria Through in situ Neutron and Infrared Spectroscopy", ACS Catalysis, 10, 5278-5287 (2020).
Moseley D.H., Stavretis S.E., Zhu Z., Guo M., Brown C.M., Ozerov M., Cheng Y.Q., Daemen L.L., Richardson R., Knight G., Thirunavukkuarasu K., Ramirez-Cuesta A.J., Tang J., Xue Z., "Inter-Kramers Transitions and Spin−Phonon Couplings in a Lanthanide-Based Single-Molecule Magnet", Inorganic Chemistry, 59, 5218-5230 (2020).
Mozur E.M., Hope M.A., Trowbridge J.C., Halat D.M., Daemen L.L., Maughan A.E., Prisk T.R., Grey C.P., Neilson J.R., "Cesium Substitution Disrupts Concerted Cation Dynamics in Formamidinium Hybrid Perovskites", Chemistry of Materials, 32, 14, 6266-6277 (2020).
Parker S.F., Ramirez-Cuesta A.J., Daemen L.L., "The structure and vibrational spectroscopy of cryolite, Na3AlF6", RSC Advances, 10, 25856-25863 (2020).
Widener C.N., "Spectroscopic Studies of Metal Complexes with Large Magnetic Anisotropy", Master's Thesis, University of Tennessee, Knoxville (2020).
Wu P., Tan S., Moon J., Yan Z., Fung V., Li N., Yang S., Cheng Y.Q., Abney C.W., Wu Z., Savara A., Momen A.M., Jiang D., Su D., Li H., Zhu W., Dai S., Zhu H., "Harnessing strong metal–support interactions via a reverse route", Nature Communications, 11, 3042 (2020).
Zhang L., Zhang X., Qian K., Li Z., Cheng Y.Q., Daemen L.L., Wu Z., Huang W., "Activation and surface reactions of CO and H2 on ZnO powders and nanoplates under CO hydrogenation reaction conditions", Journal of Energy Chemistry, 50, 351-357 (2020).

2019 26 Publications

Cheng Y.Q., Daemen L.L., Kolesnikov A.I., Ramirez-Cuesta A.J., "Simulation of inelastic neutron scattering spectra using OCLIMAX", Journal of Chemical Theory and Computation, 15, 3, 1974-1982 (2019).
Dantanarayana V., "Predicting Dynamics in Next-Gen Organic Semiconductors", Ph.D. Dissertation, University of California Davis (2019).
Dudney N.J., Hagaman E.W., Veith G.M., Gill L.W., Sacci R.L., "Lithiated and Passivated Lithium Ion Battery Anodes", (2019).
Gandara-Loe J., Missyul A., Fauth F., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., Ravikovitch P.I., Silvestre-Albero J., "New insights into the breathing phenomenon in ZIF-4", Journal of Materials Chemistry A, 7, 14552-14558 (2019).
Gong K., Cheng Y.Q., Daemen L.L., White C.E., "In situ quasi-elastic neutron scattering study on the water dynamics and reaction mechanisms in alkali-activated slags", Physical Chemistry Chemical Physics, 21, 10277 (2019).
Haberl B., Molaison J.J., Neuefeind J., Daemen L.L., Boehler R., "Modified Bridgman anvils for high pressure synthesis and neutron scattering", High Pressure Research, 39, 426-437 (2019).
Harrelson T.F., "Predicting Structure-Function Relationships of Organic Semiconductors Using Molecular Simulation and Neutron Scattering", Ph.D. Dissertation, University of California Davis (2019).
Harrelson T.F., Dantanarayana V., Xie X., Koshnick C., Nai D., Fair R., Nunez S.A., Thomas A.K., Murrey T.L., Hickner M.A., Grey J.K., Anthony J.E., Gomez E.D., Troisi A., Faller R., Moule A.J., "Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors", Materials Horizons, 6, 1, 182-191 (2019).
Li J., Han X.D., Zhang X., Sheveleva A.M., Cheng Y.Q., Tuna F., McInnes E.J., McCormick McPherson L.J., Teat S.J., Daemen L.L., Ramirez-Cuesta A.J., Schroder M., Yang S., "Capture of nitrogen dioxide and conversion to nitric acid in a porous metal–organic framework", Nature Chemistry, 11, 1085–1090 (2019).
Li L., da Silva I., Kolokolov D.I., Han X.D., Li J., Smith G., Cheng Y.Q., Daemen L.L., Morris C.G., Godfrey H.G., Jacques N.M., Zhang X., Manuel P., Frogley M.D., Murray C.A., Ramirez-Cuesta A.J., Cinque G., Tang C.C., Stepanov A.G., Yang S., Schroder M, "Post-synthetic modulation of the charge distribution in a metal–organic framework for optimal binding of carbon dioxide and sulfur dioxide", Chemical Science, 10, 5, 1472-1482 (2019).
Liu X., Chen Y., Hood Z.D., Ma C., Yu S., Sharafi A., Wang H., An K., Sakamoto J., Siegel D.J., Cheng Y.Q., Jalarvo N., Chi M., "Elucidating the mobility of H+ and Li+ ions in (Li6.25xHxAl0.25)La3Zr2O12 via correlative neutron and electron spectroscopy", Energy & Environmental Science, 12, 3, 945-951 (2019).
Mazzei L., "Local Structure and Dynamics of Proton and Hydride-Ion Conducting Perovskite Type Oxides", Ph.D. Dissertation, Chalmers University of Technology (2019).
Osti N.C., Mamontov E., Daemen L.L., Browning J.F., Keum J.K., Ho H.C., Chen J., Hong K., Diallo S.O., "Side chain dynamics in semiconducting polymer MEH-PPV", Journal of Applied Polymer Science, 136, 14, 47394 (2019).
Pandey A., Zhang J., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., "Theoretical Study of Alkali-Metal Hydrides at High Pressures: A Case of NaH Supported by Inelastic Neutron Scattering (INS) Experiments at 1 GPa and 2 GPa", Journal of Physical Chemistry A, 123, 46, 10079-10085 (2019).
Polo-Garzon F., Fung V., Nguyen L., Tang Y., Tao F., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Foo G.S., Zhu M., Wachs I.E., Jiang D., Wu Z., "Elucidation of the Reaction Mechanism for High-Temperature Water Gas Shift over an Industrial-Type Copper–Chromium–Iron Oxide Catalyst", Journal of the American Chemical Society, 141, 7990-7999 (2019).
Ramic K., Wendorff C.R., Cheng Y.Q., Kolesnikov A.I., Abernathy D.L., Daemon L., Arbanas G., Leal L., Danon Y., Liu L., "Toward a better thermal scattering law of (C5O2H8)n: Inelastic neutron scattering and oClimax + NJOY2016", Annals of Nuclear Energy, 133, 425-430 (2019).
Sakr N., Patterson M.C., Daemen L.L., Poliakoff E.D., Sprunger P.T., "Vibrational and structural study of environmentally persistent free radicals (EPFRs) formed by phenol dosed metal oxide nanoparticles", Langmuir, 35, 16726-16733 (2019).
Sato T., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., Ikeda K., Aoki T., Otomo T., Orimo S.I., "Hydrogen release reaction of complex transition metal hydride with covalently bound hydrogen and hydride ions", ChemPhysChem, 20, 1392-1397 (2019).
Smith G., Eyley J.E., Han X.D., Zhang X., Li J., Jacques N.M., Godfrey H.G., Argent S.P., McPherson L.J., Teat S.J., Cheng Y.Q., Frogley M.D., Cinque G., Day S., Tang C.C., Easun T.L., Rudic S., Ramirez-Cuesta A.J., Yang S., Schroder M., "Reversible coordinative binding and separation of sulfur dioxide in a robust metal–organic framework with open copper sites", Nature Materials, 18, 1358–1365 (2019).
Stavretis S.E., Cheng Y.Q., Daemen L.L., Brown C.M., Moseley D.H., Bill E., Atanasov M., Ramirez-Cuesta A.J., Neese F., Xue Z., "Probing Magnetic Excitations in a Co(II) Single‐Molecule Magnet by Inelastic Neutron Scattering", European Journal of Inorganic Chemistry, 2019, 8, 1119-1127 (2019).
Wu L., Evans S.F., Cheng Y.Q., Navrotsky A., Moyer B.A., Harrison S., Paranthaman M.P., "Neutron Spectroscopic and Thermochemical Characterization of Lithium-Aluminum-Layered Double Hydroxide Chloride: Implications for Lithium Recovery", Journal of Physical Chemistry C, 123, 20723-20729 (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.A., Wang X.P., "Neutron Instruments for Research in Coordination Chemistry", European Journal of Inorganic Chemistry, 2019, 8, 1065-1089 (2019).
Xue Z., Stavretis S.E., Moseley D.H., Fei F., Cui H.H., Cheng Y.Q., Podlesnyak A.A., Wang X.P., Daemen L.L., Hoffmann C., Ozerov M., Lu Z., Thirunavukkuarasu K., Smirnov D., Chang T., Chen Y.S., Ramirez-Cuesta A.J., Chen X.T., "Spectroscopic Studies of the Magnetic Excitation and Spin-Phonon Couplings in a Single-Molecule Magnet", Chemistry - A European Journal, 25, 69, 15846-15857 (2019).
Zhang J., Cheng Y.Q., Lu W., Briggs E., Ramirez-Cuesta A.J., Bernholc J., "Large-Scale Phonon Calculations Using the Real-Space Multigrid Method", Journal of Chemical Theory and Computation, (2019).

2018 27 Publications

Berg M.C., Benetti A.R., Telling M.T., Seydel T., Yu D.H., Daemen L.L., Bordallo H.N., "Nanoscale Mobility of Aqueous Polyacrylic Acid in Dental Restorative Cements", ACS Applied Materials & Interfaces, 10, 12, 9904–9915 (2018).
Cai L., Shi Y., Hrdina K., Moore L., Wu J., Daemen L.L., Cheng Y.Q., "Low-temperature vibrational dynamics of fused silica and binary silicate glasses", Physical Review B, 97, 054311 (2018).
Chi M., Liu X., Hachtel J., Jalarvo N., Cheng Y.Q., Sakamoto J., "Elucidating Ion Transport in Lithium-Ion Conductors by Combining Vibrational Spectroscopy in STEM and Neutron Scattering", Proceedings of Microscopy & Microanalysis 2018, 1496, (2018).
Dajnowicz S., "Electronic Modulation in Pyridoxal-5’-Phosphate-Dependent Enzymes", Ph.D. Dissertation, University of Toledo (2018).
Ding J., Balachandran J., Sang X., Guo W.T., Anchell J.S., Veith G.M., Bridges C.A., Cheng Y.Q., Rouleau C.M., Poplawsky J., Bassiri-Gharb N., Unocic R.R., Ganesh P., "The Influence of Local Distortions on Proton Mobility in Acceptor Doped Perovskites", Chemistry of Materials, 30, 15, 4919-4925 (2018).
Dolyniuk J.A., Wang J., Marple M.A., Sen S., Cheng Y.Q., Ramirez-Cuesta A.J., Kovnir K., "Chemical Bonding and Transport Properties in Clathrates-I with Cu–Zn–P Frameworks", Chemistry of Materials, 30, 10, 3419–3428 (2018).
Dong L., Shao Y., Han X.D., Liu X., Xia Q., Parker S.F., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Wang Y., Yang S., "Comparison of two multifunctional catalysts [M/Nb<inf>2</inf>O<inf>5</inf> (M = Pd, Pt)] for one-pot hydrodeoxygenation of lignin", Catalysis Science & Technology, 8, 23, 6129-6136 (2018).
Duong T.D., Sapchenko S.A., da Silva I., Godfrey H.G., Cheng Y.Q., Daemen L.L., Manuel P., Ramirez-Cuesta A.J., Yang S., Schroder M., "Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework", Journal of the American Chemical Society, 140, 47, 16006–16009 (2018).
Gillis R.C., Bailey T., Gallmeier F.X., Hartl M., Iverson E.B., "Raman Spectroscopy as an ortho-para diagnostic of liquid hydrogen moderators", Journal of Physics: Conference Series, 1021, 012062 (2018).
Gillis R.C., Cheng Y.Q., Gallmeier F.X., Hartl M., Huegle T., Iverson E.B., "A sample holder for simultaneous Raman and neutron vibrational spectroscopy ", Review of Scientific Instruments, 89, 1, 013112 (2018).
Han X.D., Godfrey H.G., Briggs L., Davies A.J., Cheng Y.Q., Daemen L.L., Sheveleva A.M., Tuna F., McInnes E.J., Sun J., Drathen C., George M.W., Ramirez-Cuesta A.J., Thomas K.M., Yang S., Schroder M., "Reversible adsorption of nitrogen dioxide within a robust porous metal–organic framework", Nature Materials, 17, 691-696 (2018).
McFarlane J., Hale R., DiStefano V.H., Anovitz L.M., Bilheux H.Z., Cheshire M.C., Daemen L.L., Howard R.L., Perfect E., Hussey D.S., Jacobson D.L., LaManna J.M., "Water Migration in Engineered Barrier Materials for Radioactive Waste Disposal", Transactions of the American Nuclear Society, Vol 118, (2018).
Pandey A., Sedova A., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., "Exposing Key Vibrational Contributions to Properties of Organic Molecular Solids with High Signal, Low Frequency Neutron Spectroscopy and Ab Initio Simulations", Crystal Growth and Design, 18, 9, 4815-4821 (2018).
Parker S.F., Ramirez-Cuesta A.J., Daemen L.L., "Vibrational spectroscopy with neutrons: Recent developments", Spectrochimica Acta, Part A, 190, 518-523 (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).
Pili S., Rought P., Kolokolov D.I., Lin L., da Silva I., Cheng Y.Q., Marsh C., Silverwood I.P., Garcia-Sakai V., Li M., Titman J.J., Knight L., Daemen L.L., Ramirez-Cuesta A.J., Tang C.C., Stepanov A.G., Yang S., Schroder M., "Enhancement of proton conductivity in non-porous metal-organic frameworks: the role of framework proton density and humidity", Chemistry of Materials, 30, 21, 7593–7602 (2018).
Ramic K., "From experiments to DFT simulations : comprehensive overview of thermal scattering for neutron moderator materials", Ph.D. Dissertation, Rensselaer Polytechnic Institute (2018).
Ramic K., Wendorff C.R., Cheng Y.Q., Kolesnikov A.I., Abernathy D.L., Daemen L.L., Arbanas G., Leal L., Danon Y., Liu L., "Thermal scattering law of (C2H4)n : Integrating experimental data with DFT calculations", Annals of Nuclear Energy, 120, 778-787 (2018).
Ramic K., Wendorff C.R., Feng J., Danon Y., Liu L., "Towards a Better Thermal Neutron Scattering Law Generation: oClimax + NJOY2016", Transactions of the American Nuclear Society, (2018).
Sato T., Ramirez-Cuesta A.J., Daemen L.L., Cheng Y.Q., Orimo S.I., "Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride", Inorganic Chemistry, 57, 2, 867–872 (2018).
Sharma A., "Applications of Nanoporous Materials in Gas Separation and Storage", Ph.D. Dissertation, University of Nevada Las Vegas (2018).
Stavretis S.E., "Probing Magnetic and Vibrational Properties of Molecular Compounds by Neutron Scattering", Ph.D. Dissertation, University of Tennessee (2018).
Stavretis S.E., Mamontov E., Moseley D.H., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Xue Z., "Effect of magnetic fields on the methyl rotation in a paramagnetic cobalt(II) complex. Quasielastic neutron scattering studies", Physical Chemistry Chemical Physics, (2018).
Strobel T.A., Ramirez-Cuesta A.J., Daemen L.L., Bhadram V.S., Jenkins T., Brown C.M., Cheng Y.Q., "Quantum Dynamics of H2 Trapped within Organic Clathrate Cages", Physical Review Letters, 120, 12, 120402 (2018).
Tan S., Cheng Y.Q., Daemen L.L., Lutterman D.A., "Design of a facility for the in situ measurement of catalytic reaction by neutron scattering spectroscopy", Review of Scientific Instruments, 89, 1, 014101 (2018).
Wang J., Dolyniuk J.A., Kovnir K., "Unconventional Clathrates with Transition Metal–Phosphorus Frameworks", Accounts of Chemical Research, 5f, 1, 31–39 (2018).
Wu H., Li L., Tsuboi M., Cheng Y.Q., Wang W., Mamontov E., Uchida S., Wang Z., Yin P., "Spatial-Temporal Characteristics of Confined Polymer Motion Determine Proton Conduction of Polyoxometalate-Poly(ethylene glycol) Hybrid Nanocomposites", Journal of Physical Chemistry Letters, 9, 19, 5772–5777 (2018).

2017 19 Publications

Bahadur J., Contescu C.I., Ramirez-Cuesta A.J., Mamontov E., Gallego N., Cheng Y.Q., Daemen L.L., Melnichenko Y.B., "Properties of immobile hydrogen confined in microporous carbon", Carbon, 117, 383-392 (2017).
Brady M.P., Ievlev A.V., Fayek M., Leonard D.N., Frith M.G., Meyer H., Ramirez-Cuesta A.J., Daemen L.L., Cheng Y.Q., Guo W.T., Poplawsky J., Ovchinnikova O.S., Thomson J., Anovitz L.M., Rother G., Shin D., Song G.L., Davis B., "Rapid Diffusion and Nanosegregation of Hydrogen in Magnesium Alloys from Exposure to Water", ACS Applied Materials & Interfaces, 9, 43, 38125–38134 (2017).
Casco M.E., Fernandez-Catala J., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Cuadrado-Collados C., Silvestre-Albero J., Ramos-Fernandez E.V., "Understanding ZIF-8 Performance upon Gas Adsorption by Means of Inelastic Neutron Scattering", Chemistry Select, 2, 9, 2750–2753 (2017).
Cheng Y.Q., Balachandran J., Bi Z., Bridges C.A., Paranthaman M.P., Daemen L.L., Ganesh P., Jalarvo N., "The influence of the local structure on proton transport in a solid oxide proton conductor La0.8Ba1.2GaO3.9", Journal of Materials Chemistry A, 5, 15507–15511 (2017).
Cuadrado-Collados C., Fernandez-Catala J., Fauth F., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Silvestre-Albero J., "Understanding the breathing phenomena in nano-ZIF-7 upon gas adsorption", Journal of Materials Chemistry A, 5, 39, 20938-20946 Go (2017).
Haberl B., Dissanayake S., Ye F., Daemen L.L., Cheng Y.Q., Li C.W., Ramirez-Cuesta A.J., Matsuda M., Molaison J.J., Boehler R., "Wide-angle diamond cell for neutron scattering", High Pressure Research, 37, 4, 495-506 (2017).
Harrelson T.F., Cheng Y.Q., Li J., Jacobs I.E., Ramirez-Cuesta A.J., Faller R., Moule A.J., "Identifying Atomic Scale Structure in Undoped/Doped Semicrystalline P3HT Using Inelastic Neutron Scattering", Macromolecules, 50, 6, 2424-2435 (2017).
Li Y., Cheng Y.Q., Daemen L.L., Veith G.M., Levine A.M., Lee R.J., Mahurin S.M., Dai S., Naskar A.K., Paranthaman M.P., "Neutron vibrational spectroscopic studies of novel tire-derived carbon materials", Physical Chemistry Chemical Physics, 19, 33, 22256-22262 (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).
Osti N.C., Naguib M., Ganeshan K., Shin Y.K., Ostadhossein A., van Duin A.C., Cheng Y.Q., Daemen L.L., Gogotsi Y., Mamontov E., Kolesnikov A.I., "Influence of metal ions intercalation on the vibrational dynamics of water confined between MXene layers", Physical Review Materials , 1, 6, 065406 (2017).
Patterson M.C., DiTusa M.F., McFerrin C.A., Kurtz R.J., Hall R.W., Poliakoff E.D., Sprunger P.T., "Formation of environmentally persistent free radicals (EPFRs) on ZnO at room temperature: Implications for the fundamental model of EPFR generation", Chemical Physics Letters, 670, 5–10 (2017).
Perticaroli S., Mostofian B., Ehlers G., Neuefeind J., Diallo S.O., Stanley C.B., Daemen L.L., Egami T., Katsaras J., Cheng X., Nickels J.D., "Structural Relaxation, Viscosity, and Network Connectivity in a Hydrogen Bonding Liquid", Physical Chemistry Chemical Physics, 19, 38, 25859-25869 (2017).
Sacci R.L., Lehmann M.L., Diallo S.O., Cheng Y.Q., Daemen L.L., Browning J.F., Doucet M., Dudney N.J., Veith G.M., "Lithium Transport in an Amorphous LixSi Anode Investigated by Quasi-elastic Neutron Scattering", Journal of Physical Chemistry C, 121, 21, 11083–11088 (2017).
Shao Y., Xia Q., Dong L., Liu X., Han X.D., Parker S.F., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., Yang S., Wang Y., "Selective production of arenes via direct lignin upgrading over a niobium-based catalyst", Nature Communications, 8, 16104 (2017).
Sharma A., Lawler K.V., Wolffis J.J., Eckdahl C.T., McDonald C.S., Rowsell J.L., Fitzgerald S.A., Forster P.M., "Hydrogen uptake on coordinatively unsaturated metal sites in VSB-5 revisited: Strong binding affinity leading to high temperature D2/H2 selectivity", Langmuir, 33, 51, 14586–14591 (2017).
Tan S., Gray M.B., Kidder M.K., Cheng Y.Q., Daemen L.L., Lee D., Lee H.N., Ma Y., Doughty B., Lutterman D.A., "Insight into the Selectivity of Isopropanol Conversion at Strontium Titanate (100) Surfaces: A Combination Kinetic and Spectroscopic Study", ACS Catalysis, 7, 12, 8118–8129 (2017).
Weinrauch I., Savchenko I., Denysenko D., Souliou S.M., Kim H.H., Le Tacon M., Daemen L.L., Cheng Y.Q., Mavrandonakis A., Ramirez-Cuesta A.J., Volkmer D., Schuetz G., Hirscher M., Heine T., "Capture of heavy hydrogen isotopes in a metal-organic framework with active Cu(I) sites", Nature Communications, 8, 14496 (2017).
Wu Z., Cheng Y.Q., Tao F., Daemen L.L., Foo G.S., Nguyen L., Zhang X., Beste A., Ramirez-Cuesta A.J., "Direct neutron spectroscopy observation of cerium hydride species on a cerium oxide catalyst", Journal of the American Chemical Society, 139, 28, 9721–9727 (2017).

2016 11 Publications

Bandosz T.J., Seredych M., Rodriguez-Castellon E., Cheng Y.Q., Daemen L.L., Ramirez-Cuesta A.J., "Evidence for CO2 reactive adsorption on nanoporous S- and N- doped carbon at ambient conditions", Carbon, 96, 856–863 (2016).
Bousige C., Ghimbeu C.M., Vix-Guterl C., Pomerantz A.E., Suleimenova A., Vaughan G., Garbarino G., Feygenson M., Wildgruber C., Ulm F.J., Pellenq R.J., Coasne B., "Realistic molecular model of kerogen’s nanostructure", Nature Materials, 15, 576-582 (2016).
Casco M.E., Cheng Y.Q., Daemen L.L., Fairen-Jimenez D., Ramos-Fernandez E.V., Ramirez-Cuesta A.J., Silvestre-Albero J., "Gate-opening effect in ZIF-8: First experimental proof using inelastic neutron scattering", Chemical Communications, 2, 3639-3642 (2016).
Dyatkin B., Zhang Y., Mamontov E., Kolesnikov A.I., Cheng Y.Q., Meyer H., Cummings P.T., Gogotsi Y., " Influence of Surface Oxidation on Ion Dynamics and Capacitance in Porous and Non-Porous Carbon Electrodes", Journal of Physical Chemistry C, 120, 16, 8730–8741 (2016).
Hartl M., Gillis R.C., Daemen L.L., Olds D., Page K., Carlson S., Cheng Y.Q., Huegle T., Iverson E.B., Ramirez-Cuesta A.J., Lee Y., Muhrer G., "Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion: Cr-doped silica and ferric oxide gel", Physical Chemistry Chemical Physics, 18, 26, 17281-17293 (2016).
Jafari A., "Sapphhire Ultraoptics for Sub-meV 121Sb and 125Te Phonon Spectroscopy", Ph.D. Dissertation, Université de Liège (2016).
Sato T., Ramirez-Cuesta A.J., Daemen L.L., Cheng Y.Q., Tomiyasu K., Takagi S., Orimo S.I., "Hydrogen release reactions of Al-based complex hydrides enhanced by vibrational dynamics and valences of metal cations", Chemical Communications, 52, 11807-11810 (2016).
Wang Z., Daemen L.L., Cheng Y.Q., Mamontov E., Bonnesen P.V., Hong K., Ramirez-Cuesta A.J., Yin P., "Nano-Confinement inside Molecular Metal Oxide Clusters: Dynamics and Modified Encapsulation Behavior", Chemistry - A European Journal, 22, 40, 14131–14136 (2016).
Yin P., Wu B., Mamontov E., Daemen L.L., Cheng Y.Q., Li T., Seifert S., Hong K., Bonnesen P.V., Keum J.K., Ramirez-Cuesta A.J., "X-ray and Neutron Scattering Study of the Formation of Core-Shell Type Polyoxometalates", Journal of the American Chemical Society, 138, 8, 2638–2643 (2016).
Zhai Q.G., Bu X., Mao C., Zhao X., Daemen L.L., Cheng Y.Q., Ramirez-Cuesta A.J., Feng P., "An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials", Nature Communications, 7, 13645 (2016).

2015 7 Publications

Chen H., Zhang Q., Guo X., Wen X., Li J., Zhuang W., Zheng J., "Nonresonant energy transfers independent on the phonon densities in polyatomic liquids", Journal of Physical Chemistry A, 119, 4, 669-680 (2015).
Crain C.A., Strange N.A., Larese J.Z., "Inelastic Neutron Scattering Studies of Natural Silkworm Proteins", MRS Proceedings, 1793, 41-46 (2015).
Cygan R.T., Daemen L.L., Ilgen A., Krumhansl J.L., Nenoff T.M., "Inelastic Neutron Scattering and Molecular Simulation of the Dynamics of Interlayer Water in Smectite Clay Minerals", Journal of Physical Chemistry C, 119, 50, 28005–28019 (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).
Sacci R.L., Banuelos J.L., Veith G.M., Littrell K.C., Cheng Y.Q., Wildgruber C., Jones L.L., Ramirez-Cuesta A.J., Rother G., Dudney N.J., "Structure of Spontaneously Formed Solid-Electrolyte Interphase on Lithiated Graphite Determined Using Small-Angle Neutron Scattering", Journal of Physical Chemistry C, 119, 18, 9816-9823 (2015).
Wang Z., "Neutron Scattering Investigations on the Liquid-Liquid Transition in Deeply Cooled Confined Water", Ph.D. Dissertation, Massachusetts Institute of Technology (2015).
Wang Z., Kolesnikov A.I., Ito K., Podlesnyak A.A., Chen S.H., "Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition", Physical Review Letters, 115, 23, 235701 (2015).

2014 1 Publications

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).

2009 1 Publications

Seeger P.A., Daemen L.L., Larese J.Z., "Resolution of VISION, a crystal-analyzer spectrometer", Nuclear Instruments and Methods in Physics Research Section A, 604, 719-728 (2009).