FANS Publications

2021, 2020, 2019, 2018, 2017, 2016, 2015, 2014, 2013, 2012, 2011, 2010, 2009, 2008, 2007, 2006, 2005, 2004, 2003, 2002, 2001, 2000, 1999

2021

top

  1. Polymorphism of Calcium Decahydrido-closo-decaborate and Characterization of Its Hydrates
    Jørgensen, M., Zhou, W., Wu, H., Udovic, T.J., Paskevicius, M., Černý, R., and Jensen, T.R., Inorg. Chem. 60, 10943–10957 (2021)
  2. Hydrogen in nonstoichiometric cubic titanium monoxides: X-ray and neutron diffraction, neutron vibrational spectroscopy and NMR studies
    Skripov, A.V., Soloninin, A.V., Valeeva, A.A., Gusev, A.I., Rempel, A.A., Wu, H., and Udovic, T.J., Journal of Alloys and Compounds 161353 (2021)
  3. Promoting Persistent Superionic Conductivity in Sodium Monocarba-closo-dodecaborate NaCB11H12 via Confinement within Nanoporous Silica
    Andersson, M.S., Stavila, V., Skripov, A.V., Dimitrievska, M., Psurek, M.T., Leão, J.B., Babanova, O.A., Skoryunov, R.V., Soloninin, A.V., Karlsson, M., and Udovic, T.J., J. Phys. Chem. C acs.jpcc.1c03589 (2021)
  4. Neutron Scattering Investigations of the Global and Local Structures of Ammine Yttrium Borohydrides
    Grinderslev, J.B., Andersson, M.S., Trump, B.A., Zhou, W., Udovic, T.J., Karlsson, M., and Jensen, T.R., J. Phys. Chem. C acs.jpcc.1c03629 (2021)
  5. Interplay between the Reorientational Dynamics of the B3H8– Anion and the Structure in KB3H8
    Andersson, M.S., Grinderslev, J.B., Chen, X.-M., Chen, X., Häussermann, U., Zhou, W., Jensen, T.R., Karlsson, M., and Udovic, T.J., J. Phys. Chem. C acs.jpcc.0c10186 (2021)

2020

top

  1. Position-dependent neutron detection efficiency loss in 3He gas proportional counters
    Peplowski, P.N., Yokley, Z.W., Liebel, M., Cheng, S., Elphic, R.C., Hoogerheide, S.F., Lawrence, D.J., and Nico, J.S., Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 982, 164574 (2020)
  2. Structural and Dynamical Properties of Potassium Dodecahydro-monocarba-closo-dodecaborate: KCB11H12
    Dimitrievska, M., Wu, H., Stavila, V., Babanova, O.A., Skoryunov, R.V., Soloninin, A.V., Zhou, W., Trump, B.A., Andersson, M.S., Skripov, A.V., and Udovic, T.J., J. Phys. Chem. C 124, 17992–18002 (2020)
  3. In situ examination of engineered local additives in cement paste via neutron based scattering techniques
    Kupwade-Patil, K., Bumajdad, A., Littrell, K.C., and Büyüköztürk, O., Construction and Building Materials 243, 118175 (2020)
  4. Structural and reorientational dynamics of tetrahydroborate (BH 4 − ) and tetrahydrofuran (THF) in a Mg(BH 4 ) 2 ·3THF adduct: neutron-scattering characterization
    Dimitrievska, M., Chong, M., E. Bowden, M., Wu, H., Zhou, W., Nayyar, I., Ginovska, B., Gennett, T., Autrey, T., M. Jensen, C., and J. Udovic, T., Phys. Chem. Chem. Phys. 22, 368–378 (2020)

2019

top

  1. Low-Temperature Rotational Tunneling of Tetrahydroborate Anions in Lithium Benzimidazolate-Borohydride Li2(bIm)BH4
    Skripov, A.V., Dimitrievska, M., Babanova, O.A., Skoryunov, R.V., Soloninin, A.V., Morelle, F., Filinchuk, Y., Faraone, A., Wu, H., Zhou, W., and Udovic, T.J., J. Phys. Chem. C 123, 20789–20799 (2019)
  2. Observation of plasmon-phonons in a metamaterial superconductor using inelastic neutron scattering
    Smolyaninova, V.N., Lynn, J.W., Butch, N.P., Chen-Mayer, H., Prestigiacomo, J.C., Osofsky, M.S., and Smolyaninov, I.I., Phys. Rev. B 100, 024515 (2019)
  3. Neutron Instruments for Research in Coordination Chemistry
    Xue, Z.-L., Ramirez‐Cuesta, A.J., Brown, C.M., Calder, S., Cao, H., Chakoumakos, B.C., Daemen, L.L., Huq, A., Kolesnikov, A.I., Mamontov, E., Podlesnyak, A.A., and Wang, X., Eur. J. Inorg. Chem. 2019, 1065–1089 (2019)

2018

top

  1. Glassy carbon, NIST Standard Reference Material (SRM 3600): hydrogen content, neutron vibrational density of states and heat capacity
    Cappelletti, R.L., Udovic, T.J., Li, H., and Paul, R.L., J Appl Cryst 51, 1323–1328 (2018)
  2. Nature of Decahydro-closo-decaborate Anion Reorientations in an Ordered Alkali-Metal Salt: Rb2B10H10
    Dimitrievska, M., Stavila, V., Soloninin, A.V., Skoryunov, R.V., Babanova, O.A., Wu, H., Zhou, W., Tang, W.S., Faraone, A., Tarver, J.D., Trump, B.A., Skripov, A.V., and Udovic, T.J., J. Phys. Chem. C 122, 15198–15207 (2018)

2017

top

  1. Order–Disorder Transitions and Superionic Conductivity in the Sodium nido-Undeca(carba)borates
    Tang, W.S., Dimitrievska, M., Stavila, V., Zhou, W., Wu, H., Talin, A.A., and Udovic, T.J., Chem. Mater. 29, 10496–10509 (2017)
  2. Hydrogen dynamics in the hexagonal Ho2Fe17H4 and Y2Fe17H4.2: Inelastic and quasielastic neutron scattering studies
    Skripov, A.V., Isnard, O., Mushnikov, N.V., Terent'ev, P.B., Gaviko, V.S., and Udovic, T.J., Journal of Alloys and Compounds 720, 277–283 (2017)
  3. Vibrational properties of β-KSiH3 and β-RbSiH3: a combined Raman and inelastic neutron scattering study
    Mink, J., Lin, Y.-C., Karlsson, M., Österberg, C., Udovic, T.J., Fahlquist, H., and Häussermann, U., J. Raman Spectrosc. 48, 284–291 (2017)
  4. ATOM DYNAMICS OF AMORPHOUS MATERIALS BY X-RAY PHOTON CORRELATION SPECTROSCOPY (XPCS) & NEUTRON SPECTROSCOPY
    Sarker, S., ATOM DYNAMICS OF AMORPHOUS MATERIALS BY X-RAY PHOTON CORRELATION SPECTROSCOPY (XPCS) & NEUTRON SPECTROSCOPY, 2017
  5. Nanointerface-Driven Reversible Hydrogen Storage in the Nanoconfined Li–N–H System
    Wood, B.C., Stavila, V., Poonyayant, N., Heo, T.W., Ray, K.G., Klebanoff, L.E., Udovic, T.J., Lee, J.R.I., Angboonpong, N., Sugar, J.D., and Pakawatpanurut, P., Adv. Mater. Interfaces 4, 1600803 (2017)

2016

top

  1. Understanding and Mitigating the Effects of Stable Dodecahydro-closo-dodecaborate Intermediates on Hydrogen-Storage Reactions
    White, J.L., Newhouse, R.J., Zhang, J.Z., Udovic, T.J., and Stavila, V., J. Phys. Chem. C 120, 25725–25731 (2016)
  2. Development of potential organic-molecule-based hydrogen storage materials: Converting CN bond-breaking thermolysis of guanidine to NH bond-breaking dehydrogenation
    Zhou, X., Zhou, W., Udovic, T.J., Yildirim, T., Rush, J.J., Rodriguez, E.E., and Wu, H., International Journal of Hydrogen Energy 41, 18542–18549 (2016)
  3. The low-temperature structural behavior of sodium 1-carba-closo-decaborate: NaCB9H10
    Wu, H., Tang, W.S., Zhou, W., Tarver, J.D., Stavila, V., Brown, C.M., and Udovic, T.J., Journal of Solid State Chemistry 243, 162–167 (2016)
  4. A new family of metal borohydride guanidinate complexes: Synthesis, structures and hydrogen-storage properties
    Wu, H., Zhou, X., Rodriguez, E.E., Zhou, W., Udovic, T.J., Yildirim, T., and Rush, J.J., Journal of Solid State Chemistry 242, 186–192 (2016)
  5. Structural and Dynamical Trends in Alkali-Metal Silanides Characterized by Neutron-Scattering Methods
    Tang, W.S., Dimitrievska, M., Chotard, J.-N., Zhou, W., Janot, R., Skripov, A.V., and Udovic, T.J., J. Phys. Chem. C 120, 21218–21227 (2016)
  6. Structure-dependent vibrational dynamics of Mg(BH4)2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations
    Dimitrievska, M., White, J.L., Zhou, W., Stavila, V., Klebanoff, L.E., and Udovic, T.J., Phys. Chem. Chem. Phys. 18, 25546–25552 (2016)
  7. Stabilizing lithium and sodium fast-ion conduction in solid polyhedral-borate salts at device-relevant temperatures
    Tang, W.S., Matsuo, M., Wu, H., Stavila, V., Unemoto, A., Orimo, S.-. ichi ., and Udovic, T.J., Energy Storage Materials 4, 79–83 (2016)
  8. Adsorption of two gas molecules at a single metal site in a metal–organic framework
    Runčevski, T., Kapelewski, M.T., Torres-Gavosto, R.M., Tarver, J.D., Brown, C.M., and Long, J.R., Chem. Commun. 52, 8251–8254 (2016)
  9. Hydrogen Storage and Selective, Reversible O2 Adsorption in a Metal–Organic Framework with Open Chromium(II) Sites
    Bloch, E.D., Queen, W.L., Hudson, M.R., Mason, J.A., Xiao, D.J., Murray, L.J., Flacau, R., Brown, C.M., and Long, J.R., Angew. Chem. 128, 8747–8751 (2016)

2015

top

  1. Fast lithium-ionic conduction in a new complex hydride–sulphide crystalline phase
    Unemoto, A., Wu, H., Udovic, T.J., Matsuo, M., Ikeshoji, T., and Orimo, S.-. ichi ., Chem. Commun. 52, 564–566 (2015)
  2. Unparalleled lithium and sodium superionic conduction in solid electrolytes with large monovalent cage-like anions
    Tang, W.S., Unemoto, A., Zhou, W., Stavila, V., Matsuo, M., Wu, H., Orimo, S.-. ichi ., and Udovic, T.J., Energy Environ. Sci. 8, 3637–3645 (2015)
  3. Altering the structural properties of A2B12H12 compounds via cation and anion modifications
    Tang, W.S., Udovic, T.J., and Stavila, V., Journal of Alloys and Compounds 645, S200–S204 (2015)
  4. Quasielastic neutron scattering study of tetrahydroborate anion dynamical perturbations in sodium borohydride due to partial halide anion substitution
    Verdal, N., Udovic, T.J., Rush, J.J., and Skripov, A.V., Journal of Alloys and Compounds 645, S513–S517 (2015)
  5. The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach
    Wu, H., Tang, W.S., Zhou, W., Stavila, V., Rush, J.J., and Udovic, T.J., Crystengcomm 17, 3533–3540 (2015)
  6. Structural Behavior of Li2B10H10
    Wu, H., Tang, W.S., Stavila, V., Zhou, W., Rush, J.J., and Udovic, T.J., J. Phys. Chem. C 119, 6481–6487 (2015)
  7. Neutron Scattering of Proton-Conducting Ceramics
    Karlsson, M., in Neutron Applications in Materials for Energy, edited by G.J. Kearley and V.K. Peterson (Springer International Publishing, Cham, 2015), pp. 243–271

2014

top

  1. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites
    Kapelewski, M.T., Geier, S.J., Hudson, M.R., Stück, D., Mason, J.A., Nelson, J.N., Xiao, D.J., Hulvey, Z., Gilmour, E., FitzGerald, S.A., Head-Gordon, M., Brown, C.M., and Long, J.R., J. Am. Chem. Soc. 136, 12119–12129 (2014)
  2. Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation
    Chua, Y.S., Pei, Q., Ju, X., Zhou, W., Udovic, T.J., Wu, G., Xiong, Z., Chen, P., and Wu, H., J. Phys. Chem. C 118, 11244–11251 (2014)
  3. Hydrogen dynamics in Laves-phase hydride YFe2H2.6: Inelastic and quasielastic neutron scattering studies
    Skripov, A.V., Paul-Boncour, V., Udovic, T.J., and Rush, J.J., Journal of Alloys and Compounds 595, 28–32 (2014)
  4. Complex high-temperature phase transitions in Li2B12H12 and Na2B12H12
    Verdal, N., Her, J.-H., Stavila, V., Soloninin, A.V., Babanova, O.A., Skripov, A.V., Udovic, T.J., and Rush, J.J., Journal of Solid State Chemistry 212, 81–91 (2014)

2013

top

  1. Structure and spectroscopy of hydrogen adsorbed in a nickel metal–organic framework
    Brown, C.M., Ramirez-Cuesta, A.J., Her, J.-H., Wheatley, P.S., and Morris, R.E., Chemical Physics 427, 3–8 (2013)
  2. Dynamical Perturbations of Tetrahydroborate Anions in LiBH4 due to Nanoconfinement in Controlled-Pore Carbon Scaffolds
    Verdal, N., Udovic, T.J., Rush, J.J., Liu, X., Majzoub, E.H., Vajo, J.J., and Gross, A.F., J. Phys. Chem. C 117, 17983–17995 (2013)
  3. Probing the unusual anion mobility of LiBH4 confined in highly ordered nanoporous carbon frameworks via solid state NMR and quasielastic neutron scattering
    Liu, X., Majzoub, E.H., Stavila, V., Bhakta, R.K., Allendorf, M.D., Shane, D.T., Conradi, M.S., Verdal, N., Udovic, T.J., and Hwang, S.-J., J. Mater. Chem. A 1, 9935–9941 (2013)
  4. Surface compression of light adsorbates inside microporous PFA-derived carbons
    Qajar, A., Peer, M., Rajagopalan, R., Liu, Y., Brown, C., and Foley, H.C., Carbon 60, 538–549 (2013)
  5. Investigation of an unusual low-temperature phase transformation in RbBH4 by neutron diffraction
    Kitchen, B.B., Verdal, N., Udovic, T.J., Rush, J.J., Hartman, M.R., and DeVries, D.J., Journal of Solid State Chemistry 203, 51–54 (2013)
  6. Evolution of the Reorientational Motions of the Tetrahydroborate Anions in Hexagonal LiBH4–LiI Solid Solution by High-Q Quasielastic Neutron Scattering
    Verdal, N., Udovic, T.J., Rush, J.J., Wu, H., and Skripov, A.V., J. Phys. Chem. C 117, 12010–12018 (2013)
  7. Mobile Species in NaAlH4
    Sorte, E.G., Bowman, R.C., Majzoub, E.H., Verkuijlen, M.H.W., Udovic, T.J., and Conradi, M.S., J. Phys. Chem. C 117, 8105–8113 (2013)
  8. Mn(dca)2(o-phen) {dca=dicyanamide; o-phen=1,10-phenanthroline}: Long-range magnetic order in a low-dimensional Mn-dca polymer
    Manson, J.L., Brown, C.M., Huang, Q., Schlueter, J.A., Lancaster, T., Blundell, S.J., Singleton, J., Lynn, J.W., and Pratt, F.L., Polyhedron 52, 679–688 (2013)
  9. Vibrational Spectroscopic Study of Subtle Phase Transitions in Alkali Borohydrides: Comparison with First-Principles Calculations
    Verdal, N., Udovic, T.J., Zhou, W., Rush, J.J., De Vries, D.J., and Hartman, M.R., J. Phys. Chem. C 117, 876–883 (2013)

2012

top

  1. Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns
    Liu, Y., Brown, C.M., Neumann, D.A., Geohegan, D.B., Puretzky, A.A., Rouleau, C.M., Hu, H., Styers-Barnett, D., Krasnov, P.O., and Yakobson, B.I., Carbon 50, 4953–4964 (2012)
  2. Structure determination of an amorphous compound AlB4H11
    Chen, X., Zhang, Y., Wang, Y., Zhou, W., Knight, D.A., Yisgedu, T.B., Huang, Z., Lingam, H.K., Billet, B., Udovic, T.J., Brown, G.M., Shore, S.G., Wolverton, C., and Zhao, J.-C., Chem. Sci. 3, 3183–3191 (2012)
  3. Characterization of Medicinal Compounds Confined in Porous Media by Neutron Vibrational Spectroscopy and First-Principles Calculations: A Case Study with Ibuprofen
    Qian, K.K., Zhou, W., Xu, X., and Udovic, T.J., Pharm Res 29, 2432–2444 (2012)
  4. Raman, FTIR, Photoacoustic-Infrared, and Inelastic Neutron Scattering Spectra of Ternary Metal Hydride Salts A2MH5, (A = Ca, Sr, Eu; M = Ir, Rh) and Their Deuterides
    Barsan, M.M., Butler, I.S., Gilson, D.F.R., Moyer, R.O., Zhou, W., Wu, H., and Udovic, T.J., J. Phys. Chem. A 116, 2490–2496 (2012)
  5. Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)
    Queen, W.L., Bloch, E.D., Brown, C.M., Hudson, M.R., Mason, J.A., Murray, L.J., Ramirez-Cuesta, A.J., Peterson, V.K., and Long, J.R., Dalton Trans. 41, 4180–4187 (2012)
  6. Hydrogen species motion in piezoelectrics: A quasi-elastic neutron scattering study
    Alvine, K.J., Tyagi, M., Brown, C.M., Udovic, T.J., Jenkins, T., and Pitman, S.G., Journal of Applied Physics 111, 053505 (2012)
  7. Structures of the strontium and barium dodecahydro-closo-dodecaborates
    Her, J.-H., Wu, H., Verdal, N., Zhou, W., Stavila, V., and Udovic, T.J., Journal of Alloys and Compounds 514, 71–75 (2012)
  8. Monoammoniate of Calcium Amidoborane: Synthesis, Structure, and Hydrogen-Storage Properties
    Chua, Y.S., Wu, H., Zhou, W., Udovic, T.J., Wu, G., Xiong, Z., Wong, M.W., and Chen, P., Inorg. Chem. 51, 1599–1603 (2012)
  9. Direct Observation of Activated Hydrogen Binding to a Supported Organometallic Compound at Room Temperature
    Simmons, J.M., Yildirim, T., Hamaed, A., Antonelli, D.M., Webb, M.I., and Walsby, C.J., Chem. Eur. J. 18, 4170–4173 (2012)

2011

top

  1. Reply to Soper: Density measurement of confined water with neutron scattering
    Zhang, Y., Faraone, A., Kamitakahara, W.A., Liu, K.-H., Mou, C.-Y., Leão, J.B., Chang, S., and Chen, S.-H., PNAS 108, E1193–E1194 (2011)
  2. Density minimum in supercooled confined water
    Soper, A.K., PNAS 108, E1192–E1192 (2011)
  3. Evidence of a transition to reorientational disorder in the cubic alkali-metal dodecahydro-closo-dodecaborates
    Verdal, N., Wu, H., Udovic, T.J., Stavila, V., Zhou, W., and Rush, J.J., Journal of Solid State Chemistry 184, 3110–3116 (2011)
  4. Comparison of FANS and ARCS incoherent inelastic neutron scattering measurements of hydrogen trapped at dislocations in deformed Pd
    Ju, H., Heuser, B.J., Abernathy, D.L., and Udovic, T.J., Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 654, 522–526 (2011)
  5. Detection of dynamical transitions in hydrogenous materials using transmission measurements with very cold neutrons
    Verdal, N., Udovic, T.J., Copley, J.R.D., and Rush, J.J., Journal of Solid State Chemistry 184, 2635–2639 (2011)
  6. Hydrogen Spillover Effect of Pt-Doped Activated Carbon Studied by Inelastic Neutron Scattering
    Tsao, C.-S., Liu, Y., Chuang, H.-Y., Tseng, H.-H., Chen, T.-Y., Chen, C.-H., Yu, M.-S., Li, Q., Lueking, A., and Chen, S.-H., J. Phys. Chem. Lett. 2, 2322–2325 (2011)
  7. Hydrogen dynamics in Ce2Fe17H5: inelastic and quasielastic neutron scattering studies
    Skripov, A.V., Mushnikov, N.V., Terent'ev, P.B., Gaviko, V.S., Udovic, T.J., and Rush, J.J., J. Phys.: Condens. Matter 23, 405402 (2011)
  8. Low-temperature tunneling and rotational dynamics of the ammonium cations in (NH4)2B12H12
    Verdal, N., Udovic, T.J., Rush, J.J., Stavila, V., Wu, H., Zhou, W., and Jenkins, T., J. Chem. Phys. 135, 094501 (2011)
  9. Alkali and alkaline-earth metal dodecahydro-closo-dodecaborates: Probing structural variations via neutron vibrational spectroscopy
    Verdal, N., Zhou, W., Stavila, V., Her, J.-H., Yousufuddin, M., Yildirim, T., and Udovic, T.J., Journal of Alloys and Compounds 509, S694–S697 (2011)
  10. Density hysteresis of heavy water confined in a nanoporous silica matrix
    Zhang, Y., Faraone, A., Kamitakahara, W.A., Liu, K.-H., Mou, C.-Y., Leão, J.B., Chang, S., and Chen, S.-H., PNAS 108, 12206–12211 (2011)
  11. Nanoscale hydride formation at dislocations in palladium: Ab initio theory and inelastic neutron scattering measurements
    Trinkle, D.R., Ju, H., Heuser, B.J., and Udovic, T.J., Phys. Rev. B 83, 174116 (2011)
  12. Inelastic neutron scattering study of the hydrogenated (${\mathrm{Zr}}_{55}$${\mathrm{Cu}}_{30}$${\mathrm{Ni}}_{5}$${\mathrm{Al}}_{10}$$){}_{99}$${\mathrm{Y}}_{1}$ bulk metallic glass
    Chuang, A.C.-P., Liu, Y., Udovic, T.J., Liaw, P.K., Yu, G.-P., and Huang, J.-H., Phys. Rev. B 83, 174206 (2011)
  13. Neutron Scattering and Spectroscopic Studies of Hydrogen Adsorption in Cr3(BTC)2—A Metal−Organic Framework with Exposed Cr2+ Sites
    Sumida, K., Her, J.-H., Dincă, M., Murray, L.J., Schloss, J.M., Pierce, C.J., Thompson, B.A., FitzGerald, S.A., Brown, C.M., and Long, J.R., J. Phys. Chem. C 115, 8414–8421 (2011)
  14. Reorientational Dynamics of the Dodecahydro-closo-dodecaborate Anion in Cs2B12H12
    Verdal, N., Udovic, T.J., Rush, J.J., Cappelletti, R.L., and Zhou, W., J. Phys. Chem. A 115, 2933–2938 (2011)
  15. Micro-channel development and hydrogen adsorption properties in templated microporous carbons containing platinum nanoparticles
    Yang, Y., Brown, C.M., Zhao, C., Chaffee, A.L., Nick, B., Zhao, D., Webley, P.A., Schalch, J., Simmons, J.M., Liu, Y., Her, J.-H., Buckley, C.E., and Sheppard, D.A., Carbon 49, 1305–1317 (2011)
  16. Sodium magnesium amidoborane: the first mixed-metal amidoborane
    Wu, H., Zhou, W., Pinkerton, F.E., Meyer, M.S., Yao, Q., Gadipelli, S., Udovic, T.J., Yildirim, T., and Rush, J.J., Chem. Commun. 47, 4102–4104 (2011)
  17. Hydrogen storage properties and neutron scattering studies of Mg2(dobdc)—a metal–organic framework with open Mg2+ adsorption sites
    Sumida, K., Brown, C.M., Herm, Z.R., Chavan, S., Bordiga, S., and Long, J.R., Chem. Commun. 47, 1157–1159 (2011)
  18. Nanoconfinement and Catalytic Dehydrogenation of Ammonia Borane by Magnesium-Metal–Organic-Framework-74
    Gadipelli, S., Ford, J., Zhou, W., Wu, H., Udovic, T.J., and Yildirim, T., Chem. Eur. J. 17, 6043–6047 (2011)
  19. A neutron scattering study of hydrogen dynamics in coarse-grained and nanostructured ZrCr2H3
    Skripov, A.V., Udovic, T.J., Rush, J.J., and Uimin, M.A., J. Phys.: Condens. Matter 23, 065402 (2011)

2010

top

  1. Hydrated {Mo72Fe30} clusters: Low-frequency hydrogen modes and self-aggregation
    Fratini, E., Faraone, A., Todea, A.M., and Baglioni, P., Inorganica Chimica Acta 363, 4234–4239 (2010)
  2. The anti-perovskite type hydride InPd3H0.89
    Kohlmann, H., Skripov, A.V., Soloninin, A.V., and Udovic, T.J., Journal of Solid State Chemistry 183, 2461–2465 (2010)
  3. A new family of metal borohydride ammonia borane complexes: Synthesis, structures, and hydrogen storage properties
    Wu, H., Zhou, W., Pinkerton, F.E., Meyer, M.S., Srinivas, G., Yildirim, T., Udovic, T.J., and Rush, J.J., J. Mater. Chem. 20, 6550–6556 (2010)
  4. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal–organic framework (Fe-BTT) discovered via high-throughput methods
    Sumida, K., Horike, S., Kaye, S.S., Herm, Z.R., Queen, W.L., Brown, C.M., Grandjean, F., Long, G.J., Dailly, A., and Long, J.R., Chem. Sci. 1, 184–191 (2010)
  5. Analysis of the vibrational spectrum of dihydrazinium 5,5′-azotetrazolate dihydrate by electronic structure calculations
    Ciezak, J.A. and Trevino, S.F., Journal of Molecular Structure 975, 23–29 (2010)
  6. Reorientational Dynamics of NaBH4 and KBH4
    Verdal, N., Hartman, M.R., Jenkins, T., DeVries, D.J., Rush, J.J., and Udovic, T.J., J. Phys. Chem. C 114, 10027–10033 (2010)
  7. Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate
    Stavila, V., Her, J.-H., Zhou, W., Hwang, S.-J., Kim, C., Ottley, L.A.M., and Udovic, T.J., Journal of Solid State Chemistry 183, 1133–1140 (2010)
  8. Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies
    Wu, H., Skripov, A.V., Udovic, T.J., Rush, J.J., Derakhshan, S., and Kleinke, H., Journal of Alloys and Compounds 496, 1–6 (2010)
  9. Graphene Oxide Framework Materials: Theoretical Predictions and Experimental Results
    Burress, J.W., Gadipelli, S., Ford, J., Simmons, J.M., Zhou, W., and Yildirim, T., Angewandte Chemie International Edition 49, 8902–8904 (2010)

2009

top

  1. Crystal Chemistry and Dehydrogenation/Rehydrogenation Properties of Perovskite Hydrides RbMgH3 and RbCaH3
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., J. Phys. Chem. C 113, 15091–15098 (2009)
  2. Role of Cation Size on the Structural Behavior of the Alkali-Metal Dodecahydro-closo-Dodecaborates
    Her, J.-H., Zhou, W., Stavila, V., Brown, C.M., and Udovic, T.J., J. Phys. Chem. C 113, 11187–11189 (2009)
  3. Characterization of fly ash reactivity in hydrating cement by neutron scattering
    Bumrongjaroen, W., Livingston, R.A., Neumann, D.A., and Allen, A.J., J. Mater. Res. 24, 2435–2448 (2009)
  4. Crystal structure, neutron vibrational spectroscopy, and DFT calculations of Li2B12H12·4H2O
    Yousufuddin, M., Her, J.-H., Zhou, W., Jalisatgi, S.S., and Udovic, T.J., Inorganica Chimica Acta 362, 3155–3158 (2009)
  5. Hydrogen in nonstoichiometric cubic niobium carbides: Neutron vibrational spectroscopy and neutron diffraction studies
    Skripov, A.V., Wu, H., Udovic, T.J., Huang, Q., Hempelmann, R., Soloninin, A.V., Rempel, A.A., and Gusev, A.I., Journal of Alloys and Compounds 478, 68–74 (2009)
  6. Detection of Hydrogen Spillover in Palladium-Modified Activated Carbon Fibers during Hydrogen Adsorption
    Contescu, C.I., Brown, C.M., Liu, Y., Bhat, V.V., and Gallego, N.C., J. Phys. Chem. C 113, 5886–5890 (2009)
  7. Hydrogen adsorption in HKUST-1: a combined inelastic neutron scattering and first-principles study
    Brown, C.M., Liu, Y., Yildirim, T., Peterson, V.K., and Kepert, C.J., Nanotechnology 20, 204025 (2009)
  8. Neutron scattering measurements of the phonon density of states of ${\text{FeSe}}_{1\ensuremath{-}x}$ superconductors
    Phelan, D., Millican, J.N., Thomas, E.L., Leão, J.B., Qiu, Y., and Paul, R., Phys. Rev. B 79, 014519 (2009)

2008

top

  1. Vibrational density of states measurement of hydrogen trapped at dislocations in deformed ${\text{PdH}}_{0.0008}$
    Heuser, B.J., Udovic, T.J., and Ju, H., Phys. Rev. B 78, 214101 (2008)
  2. Crystalline Electric Field as a Probe for Long-Range Antiferromagnetic Order and Superconducting State of ${\mathrm{CeFeAsO}}_{1\ensuremath{-}x}{\mathrm{F}}_{x}$
    Chi, S., Adroja, D.T., Guidi, T., Bewley, R., Li, S., Zhao, J., Lynn, J.W., Brown, C.M., Qiu, Y., Chen, G.F., Lou, J.L., Wang, N.L., and Dai, P., Phys. Rev. Lett. 101, 217002 (2008)
  3. Crystal Structure of Li2B12H12: a Possible Intermediate Species in the Decomposition of LiBH4
    Her, J.-H., Yousufuddin, M., Zhou, W., Jalisatgi, S.S., Kulleck, J.G., Zan, J.A., Hwang, S.-J., Bowman, R.C., and Udovic, T.J., Inorg. Chem. 47, 9757–9759 (2008)
  4. The nature of deuterium arrangements in YD3 and other rare-earth trideuterides
    Udovic, T.J., Huang, Q., Santoro, A., and Rush, J.J., Zeitschrift Für Kristallographie 223, 697–705 (2008)
  5. Molecular H2 trapped in AlH3 solid
    Senadheera, L., Carl, E.M., Ivancic, T.M., Conradi, M.S., Bowman, R.C., Hwang, S.-J., and Udovic, T.J., Journal of Alloys and Compounds 463, 1–5 (2008)
  6. Reversible Structural Transition in MIL-53 with Large Temperature Hysteresis
    Liu, Y., Her, J.-H., Dailly, A., Ramirez-Cuesta, A.J., Neumann, D.A., and Brown, C.M., J. Am. Chem. Soc. 130, 11813–11818 (2008)
  7. Structural variations and hydrogen storage properties of Ca5Si3 with Cr5B3-type structure
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., Chemical Physics Letters 460, 432–437 (2008)
  8. Raman, FTIR, Photoacoustic-FTIR and Inelastic Neutron Scattering Spectra of Alkaline Earth and Lanthanide Salts of Hexahydridoruthenate(II), A2RuH6, (A = Ca, Sr, Eu) and Their Deuterides
    Barsan, M.M., Butler, I.S., Gilson, D.F.R., Moyer Jr., R.O., Zhou, W., Wu, H., and Udovic, T.J., J. Phys. Chem. A 112, 6936–6938 (2008)
  9. Increasing the Density of Adsorbed Hydrogen with Coordinatively Unsaturated Metal Centers in Metal−Organic Frameworks
    Liu, Y., Kabbour, H., Brown, C.M., Neumann, D.A., and Ahn, C.C., Langmuir 24, 4772–4777 (2008)
  10. The design of a bismuth-based auxiliary filter for the removal of spurious background scattering associated with filter-analyzer neutron spectrometers
    Udovic, T.J., Brown, C.M., Leão, J.B., Brand, P.C., Jiggetts, R.D., Zeitoun, R., Pierce, T.A., Peral, I., Copley, J.R.D., Huang, Q., Neumann, D.A., and Fields, R.J., Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 588, 406–413 (2008)
  11. Neutron spectroscopy of water dynamics in NaX and NaA zeolites
    Kamitakahara, W.A. and Wada, N., Phys. Rev. E 77, 041503 (2008)
  12. Crystal Chemistry of Perovskite-Type Hydride NaMgH3: Implications for Hydrogen Storage
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., Chem. Mater. 20, 2335–2342 (2008)
  13. Structures and Crystal Chemistry of Li2BNH6 and Li4BN3H10
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., Chem. Mater. 20, 1245–1247 (2008)
  14. Strategies for the Improvement of the Hydrogen Storage Properties of Metal Hydride Materials
    Wu, H., Chemphyschem 9, 2157–2162 (2008)

2007

top

  1. Neutron vibrational spectroscopy and first-principles calculations of the ternary hydrides ${\mathrm{Li}}_{4}{\mathrm{Si}}_{2}\mathrm{H}(\mathrm{D})$ and ${\mathrm{Li}}_{4}{\mathrm{Ge}}_{2}\mathrm{H}(\mathrm{D})$: Electronic structure and lattice dynamics
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., Yildirim, T., Hartman, M.R., Bowman, R.C., and Vajo, J.J., Phys. Rev. B 76, 224301 (2007)
  2. Electronic, dynamical, and thermal properties of ultra-incompressible superhard rhenium diboride: A combined first-principles and neutron scattering study
    Zhou, W., Wu, H., and Yildirim, T., Phys. Rev. B 76, 184113 (2007)
  3. Inelastic neutron scattering of H2 adsorbed in HKUST-1
    Liu, Y., Brown, C.M., Neumann, D.A., Peterson, V.K., and Kepert, C.J., Journal of Alloys and Compounds 446-447, 385–388 (2007)
  4. Inelastic neutron scattering of H2 adsorbed on boron substituted single walled carbon nanotubes
    Liu, Y., Brown, C.M., Blackburn, J.L., Neumann, D.A., Gennett, T., Simpson, L., Parilla, P., Dillon, A.C., and Heben, M.J., Journal of Alloys and Compounds 446-447, 368–372 (2007)
  5. Structure and hydrogenation properties of the ternary alloys Ca2−xMgxSi (0≤x≤1)
    Wu, H., Zhou, W., Udovic, T.J., and Rush, J.J., Journal of Alloys and Compounds 446-447, 101–105 (2007)
  6. Neutron vibrational spectroscopy of the Pr2Fe17-based hydrides
    Udovic, T.J., Zhou, W., Wu, H., Brown, C.M., Rush, J.J., Yildirim, T., Mamontov, E., and Isnard, O., Journal of Alloys and Compounds 446-447, 504–507 (2007)
  7. Hydrogen Storage in Molecular Clathrates
    Struzhkin, V.V., Militzer, B., Mao, W.L., Mao, H.-. kwang ., and Hemley, R.J., Chem. Rev. 107, 4133–4151 (2007)
  8. Vibrational properties of TiHn complexes adsorbed on carbon nanostructures
    Íñiguez, J., Zhou, W., and Yildirim, T., Chemical Physics Letters 444, 140–144 (2007)
  9. Structure and vibrational spectra of calcium hydride and deuteride
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., Journal of Alloys and Compounds 436, 51–55 (2007)
  10. Hydrogen motion and site occupation in Ti2CoHx(Dx): NMR and neutron scattering studies
    Skripov, A.V., Buzlukov, A.L., Soloninin, A.V., Voronin, V.I., Berger, I.F., Udovic, T.J., Huang, Q., and Rush, J.J., Physica B: Condensed Matter 392, 353–360 (2007)
  11. Structure and vibrational dynamics of isotopically labeled lithium borohydride using neutron diffraction and spectroscopy
    Hartman, M.R., Rush, J.J., Udovic, T.J., Bowman, R.C., and Hwang, S.-J., Journal of Solid State Chemistry 180, 1298–1305 (2007)
  12. Structure and interstitial deuterium sites of $\ensuremath{\beta}$-phase ZrNi deuteride
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., Yildirim, T., Huang, Q., and Bowman, R.C., Phys. Rev. B 75, 064105 (2007)
  13. Hydrogen Storage In A Novel Destabilized Hydride System, Ca2SiHx:  Effects of Amorphization
    Wu, H., Zhou, W., Udovic, T.J., and Rush, J.J., Chem. Mater. 19, 329–334 (2007)

2006

top

  1. Structure and hydrogen bonding in ${\mathrm{CaSiD}}_{1+x}$: Issues about covalent bonding
    Wu, H., Zhou, W., Udovic, T.J., Rush, J.J., and Yildirim, T., Phys. Rev. B 74, 224101 (2006)
  2. Hydration of cement: The application of quasielastic and inelastic neutron scattering
    Peterson, V.K., Neumann, D.A., and Livingston, R.A., Physica B: Condensed Matter 385-386, 481–486 (2006)
  3. Dynamics of ammonia borane using neutron scattering
    Brown, C.M., Jacques, T.L., Hess, N.J., Daemen, L.L., Mamontov, E., Linehan, J.C., Stowe, A.C., and Autrey, T., Physica B: Condensed Matter 385-386, 266–268 (2006)
  4. Lattice dynamics of metal-organic frameworks: Neutron inelastic scattering and first-principles calculations
    Zhou, W. and Yildirim, T., Phys. Rev. B 74, 180301 (2006)
  5. Deuterium site occupancy and phase boundaries in ${\mathrm{ZrNiD}}_{x}\phantom{\rule{0.3em}{0ex}}(0.87\ensuremath{\le}x\ensuremath{\le}3.0)$
    Bowman, R.C., Adolphi, N.L., Hwang, S.-J., Kulleck, J.G., Udovic, T.J., Huang, Q., and Wu, H., Phys. Rev. B 74, 184109 (2006)
  6. Vibrational analysis of the inelastic neutron ascattering spectra of electron donor–acceptor complexes. II. Tetracyanoethylene–perylene by electronic structure calculations
    Ciezak, J.A., Leão, J.B., and Hudson, B.S., Journal of Molecular Structure: THEOCHEM 767, 23–28 (2006)
  7. Quasielastic and inelastic neutron scattering study of the hydration of monoclinic and triclinic tricalcium silicate
    Peterson, V.K., Brown, C.M., and Livingston, R.A., Chemical Physics 326, 381–389 (2006)
  8. Inelastic neutron scattering investigation of hydrating tricalcium and dicalcium silicate mixture pastes: Ca(OH)2 formation and evolution of strength
    Peterson, V.K., Neumann, D.A., and Livingston, R.A., J. Mater. Res. 21, 1836–1842 (2006)
  9. Neutron Diffraction and Neutron Vibrational Spectroscopy Studies of Hydrogen Adsorption in the Prussian Blue Analogue Cu3[Co(CN)6]2
    Hartman, M.R., Peterson, V.K., Liu, Y., Kaye, S.S., and Long, J.R., Chem. Mater. 18, 3221–3224 (2006)
  10. Spin Waves in the Frustrated Kagom\'e Lattice Antiferromagnet ${\mathrm{KFe}}_{3}(\mathrm{OH}{)}_{6}({\mathrm{SO}}_{4}{)}_{2}$
    Matan, K., Grohol, D., Nocera, D.G., Yildirim, T., Harris, A.B., Lee, S.H., Nagler, S.E., and Lee, Y.S., Phys. Rev. Lett. 96, 247201 (2006)
  11. Structural and vibrational characterization of the organic semiconductor tetracene as a function of pressure and temperature
    Pivovar, A.M., Curtis, J.E., Leao, J.B., Chesterfield, R.J., and Frisbie, C.D., Chemical Physics 325, 138–151 (2006)
  12. Towards a microscopic model of magnetoelectric interactions in ${\mathrm{Ni}}_{3}{\mathrm{V}}_{2}{\mathrm{O}}_{8}$
    Harris, A.B., Yildirim, T., Aharony, A., and Entin-Wohlman, O., Phys. Rev. B 73, 184433 (2006)
  13. Inelastic Neutron Scattering Spectrum of Cyclotrimethylenetrinitramine:  A Comparison with Solid-State Electronic Structure Calculations
    Ciezak, J.A. and Trevino, S.F., J. Phys. Chem. A 110, 5149–5155 (2006)
  14. Structural and Vibrational Characterization of Tetracyanoethylene−Hexamethylbenzene as a Function of Pressure
    Ciezak, J.A. and Leão, J.B., J. Phys. Chem. A 110, 3759–3769 (2006)
  15. Static and dynamic Jahn-Teller effect in the alkali metal fulleride salts ${A}_{4}{\mathrm{C}}_{60}$ $(A=\mathrm{K},\mathrm{Rb},\mathrm{Cs})$
    Klupp, G., Kamarás, K., Nemes, N.M., Brown, C.M., and Leão, J., Phys. Rev. B 73, 085415 (2006)

2005

top

  1. Theoretical and experimental study of the inelastic neutron scattering spectra of β-5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
    Ciezak, J.A. and Trevino, S.F., Journal of Molecular Structure: THEOCHEM 732, 211–218 (2005)
  2. The molecular structure and inelastic neutron scattering spectra of 2,6-Diamino-3,5-dinitropyrazine
    Ciezak, J.A. and Trevino, S.F., Journal of Molecular Structure: THEOCHEM 723, 241–244 (2005)
  3. Lattice dynamics of high-pressure hydrogenated austenitic stainless steels
    Hoelzel, M., Rajevac, V., Danilkin, S.A., Udovic, T.J., Wipf, H., and Fuess, H., J. Phys.: Condens. Matter 17, 3537–3546 (2005)
  4. The inelastic neutron scattering spectra of α-3-amino-5-nitro-1,2,4-2H-triazole: Experiment and DFT calculations
    Ciezak, J.A. and Trevino, S.F., Chemical Physics Letters 403, 329–333 (2005)

2004

top

  1. Neutron scattering study of hydrogen dynamics in ${\mathrm{Pr}}_{2}{\mathrm{Fe}}_{17}{\mathrm{H}}_{5}$
    Mamontov, E., Udovic, T.J., Isnard, O., and Rush, J.J., Phys. Rev. B 70, 214305 (2004)
  2. Effects of high-pressure hydrogen charging on the structure of austenitic stainless steels
    Hoelzel, M., Danilkin, S.A., Ehrenberg, H., Toebbens, D.M., Udovic, T.J., Fuess, H., and Wipf, H., Materials Science and Engineering: A 384, 255–261 (2004)
  3. First-order nature of the ferromagnetic phase transition in $(\mathrm{La}\text{\penalty1000-\hskip0pt}\mathrm{Ca})\mathrm{Mn}{\mathrm{O}}_{3}$ near optimal doping
    Adams, C.P., Lynn, J.W., Smolyaninova, V.N., Biswas, A., Greene, R.L., Ratcliff, W., Cheong, S.-W., Mukovskii, Y.M., and Shulyatev, D.A., Phys. Rev. B 70, 134414 (2004)
  4. The Crystalline Enol of 1,3-Cyclohexanedione and Its Complex with Benzene:  Vibrational Spectra, Simulation of Structure and Dynamics and Evidence for Cooperative Hydrogen Bonding
    Hudson, B.S., Braden, D.A., Allis, D.G., Jenkins, T., Baronov, S., Middleton, C., Withnall, R., and Brown, C.M., J. Phys. Chem. A 108, 7356–7363 (2004)
  5. Structure and hydrogen dynamics of pure and Ti-doped sodium alanate
    Íñiguez, J., Yildirim, T., Udovic, T.J., Sulic, M., and Jensen, C.M., Phys. Rev. B 70, 060101 (2004)
  6. Neutron scattering studies on the vibrational excitations and the structure of ordered niobium hydrides: the phases
    Hauer, B., Hempelmann, R., Udovic, T.J., Rush, J.J., Kockelmann, W., Schäfer, W., Jansen, E., and Richter, D., J. Phys.: Condens. Matter 16, 5205–5228 (2004)
  7. Boehmite-Derived γ-Alumina System. 2. Consideration of Hydrogen and Surface Effects
    Paglia, G., Buckley, C.E., Udovic, T.J., Rohl, A.L., Jones, F., Maitland, C.F., and Connolly, J., Chem. Mater. 16, 1914–1923 (2004)
  8. Inelastic neutron scattering spectra of NaBH4 and KBH4: reproduction of anion mode shifts via periodic DFT
    Allis, D.G. and Hudson, B.S., Chemical Physics Letters 385, 166–172 (2004)
  9. Origin and removal of spurious background peaks in vibrational spectra measured by filter-analyzer neutron spectrometers
    Udovic, T.J., Neumann, D.A., Leão, J., and Brown, C.M., Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 517, 189–201 (2004)

2003

top

  1. Structure and dynamics of superconducting ${\mathrm{Na}}_{x}{\mathrm{CoO}}_{2}$ hydrate and its unhydrated analog
    Lynn, J.W., Huang, Q., Brown, C.M., Miller, V.L., Foo, M.L., Schaak, R.E., Jones, C.Y., Mackey, E.A., and Cava, R.J., Phys. Rev. B 68, 214516 (2003)
  2. Ca−OH Bonding in the C−S−H Gel Phase of Tricalcium Silicate and White Portland Cement Pastes Measured by Inelastic Neutron Scattering
    Thomas, J.J., Chen, J.J., Jennings, H.M., and Neumann, D.A., Chem. Mater. 15, 3813–3817 (2003)
  3. Crystal structure and lattice dynamics of hydrogen-loaded austenitic steel
    Danilkin, S.A., Hölzel, M., Fuess, H., Wipf, H., Udovic, T.J., Rush, J.J., Antonov, V.E., and Gavriljuk, V.G., J. Phys. IV France 112, 407–410 (2003)
  4. Structural and dynamical properties of ${\mathrm{YH}}_{3}$
    van Gelderen, P., Kelly, P.J., and Brocks, G., Phys. Rev. B 68, 094302 (2003)
  5. Visualization and measurement of quantum rotational dynamics
    Dimeo, R.M., American Journal of Physics 71, 885–893 (2003)
  6. Terahertz spectroscopy of short-chain polypeptides
    Kutteruf, M.R., Brown, C.M., Iwaki, L.K., Campbell, M.B., Korter, T.M., and Heilweil, E.J., Chemical Physics Letters 375, 337–343 (2003)

2002

top

  1. Quantitative analysis of UH3 in U metal and UO2 matrices by neutron vibrational spectroscopy
    Glagolenko, I.Y., Carney, K.P., Kern, S., Goremychkin, E.A., Udovic, T.J., Copley, J.R.D., and Cook, J.C., Appl Phys A 74, s1397–s1399 (2002)
  2. Doping evolution of the phonon density of states and electron-lattice interaction in ${\mathrm{Nd}}_{2\ensuremath{-}x}{\mathrm{Ce}}_{x}{\mathrm{CuO}}_{4+\ensuremath{\delta}}$
    Kang, H.J., Dai, P., Mandrus, D., Jin, R., Mook, H.A., Adroja, D.T., Bennington, S.M., Lee, S.-H., and Lynn, J.W., Phys. Rev. B 66, 064506 (2002)
  3. Low-Frequency Amide Modes in Different Hydrogen-Bonded Forms of Nylon-6 Studied by Inelastic Neutron Scattering and Density-Functional Calculations
    Fischer, J.E. and Murthy, N.S., Macromolecules 35, 4175–4182 (2002)
  4. Probing Vibrational Dynamics of Hydrogen-Bonded Inclusion Compounds with Inelastic Neutron Scattering and Ab Initio Calculations
    Pivovar, A.M., Ward, M.D., Brown, C.M., and Neumann, D.A., J. Phys. Chem. B 106, 4916–4924 (2002)
  5. Comparison of the dynamics of hydrogen and deuterium dissolved in crystalline Pd9Si2 and Pd3P0.8
    Udovic, T.J., Karmonik, C., Huang, Q., Rush, J.J., Vennström, M., Andersson, Y., and Flanagan, T.B., Journal of Alloys and Compounds 330-332, 458–461 (2002)

2001

top

  1. The combined neutron scattering and first-principles study of solid state protonic conductors
    Yildirim, T., Reisner, B., Udovic, T.J., and Neumann, D.A., Solid State Ionics 145, 429–435 (2001)
  2. Neutron scattering studies of disordered carbon anode materials
    Papanek, P., Kamitakahara, W.A., Zhou, P., and Fischer, J.E., J. Phys.: Condens. Matter 13, 8287–8301 (2001)
  3. Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory
    Pivovar, A.M., Ward, M.D., Yildirim, T., and Neumann, D.A., J. Chem. Phys. 115, 1909–1915 (2001)
  4. Giant Anharmonicity and Nonlinear Electron-Phonon Coupling in ${\mathrm{MgB}}_{2}$: A Combined First-Principles Calculation and Neutron Scattering Study
    Yildirim, T., Gülseren, O., Lynn, J.W., Brown, C.M., Udovic, T.J., Huang, Q., Rogado, N., Regan, K.A., Hayward, M.A., Slusky, J.S., He, T., Haas, M.K., Khalifah, P., Inumaru, K., and Cava, R.J., Phys. Rev. Lett. 87, 037001 (2001)
  5. Inelastic Neutron Scattering:  A Tool in Molecular Vibrational Spectroscopy and a Test of ab Initio Methods
    Hudson, B.S., J. Phys. Chem. A 105, 3949–3960 (2001)
  6. Phonon spectrum of ${\mathrm{YH}}_{3}:$ Evidence for a broken symmetry structure
    van Gelderen, P., Kelly, P.J., and Brocks, G., Phys. Rev. B 63, 100301 (2001)

2000

top

  1. Low-temperature dynamics of confined methyl iodide
    Dimeo, R.M. and Neumann, D.A., Phys. Rev. B 63, 014301 (2000)
  2. Phonon Density of States of Single-Wall Carbon Nanotubes
    Rols, S., Benes, Z., Anglaret, E., Sauvajol, J.L., Papanek, P., Fischer, J.E., Coddens, G., Schober, H., and Dianoux, A.J., Phys. Rev. Lett. 85, 5222–5225 (2000)
  3. Structure and dynamics from combined neutron scattering and first-principles studies
    Yildirim, T., Chemical Physics 261, 205–216 (2000)
  4. Quantum rotation of hydrogen in single-wall carbon nanotubes
    Brown, C.M., Yildirim, T., Neumann, D.A., Heben, M.J., Gennett, T., Dillon, A.C., Alleman, J.L., and Fischer, J.E., Chemical Physics Letters 329, 311–316 (2000)
  5. First-principles investigation of structural and electronic properties of solid cubane and its doped derivatives
    Yildirim, T., Ciraci, S., Kılıç, Ç., and Buldum, A., Phys. Rev. B 62, 7625–7633 (2000)
  6. Rotational dynamics of C60 in superconducting K3Ba3C60
    Margadonna, S., Li, W.Z., Prassides, K., and Neumann, D.A., Chemical Physics Letters 322, 472–476 (2000)
  7. Hydrogen vibrations and hydrogen trapping in TaN0.006H0.003
    Heene, M., Wipf, H., Udovic, T.J., and Rush, J.J., J. Phys.: Condens. Matter 12, 6183–6190 (2000)
  8. Hydrogen and deuterium site separation in fcc-based mixed-isotope rare-earth hydrides
    Udovic, T.J., Huang, Q., and Rush, J.J., Phys. Rev. B 61, 6611–6616 (2000)

1999

top

  1. Structural ordering and dynamics of LaH3−x
    Udovic, T.J., Huang, Q., Karmonik, C., and Rush, J.J., Journal of Alloys and Compounds 293-295, 113–117 (1999)
  2. Excited-state vibrational tunnel splitting of hydrogen trapped by nitrogen in niobium
    Rush, J.J., Udovic, T.J., Berk, N.F., Richter, D., and Magerl, A., EPL 48, 187 (1999)
  3. Vibrations of the cubane molecule: inelastic neutron scattering study and theory
    Yildirim, T., Kılıç, Ç., Ciraci, S., Gehring, P.M., Neumann, D.A., Eaton, P.E., and Emrick, T., Chemical Physics Letters 309, 234–240 (1999)
  4. Neutron-scattering study of the nuclear and magnetic structure of ${\mathrm{DyD}}_{3}$ and associated vibrational and magnetic excitations
    Udovic, T.J., Huang, Q., Lynn, J.W., Erwin, R.W., and Rush, J.J., Phys. Rev. B 59, 11852–11858 (1999)
  5. Inelastic neutron scattering study of the hydration of tricalcium silicate
    FitzGerald, S.A., Neumann, D.A., Rush, J.J., Kirkpatrick, R.J., Cong, X., and Livingston, R.A., J. Mater. Res. 14, 1160–1165 (1999)
  6. Rotational dynamics of ${\mathrm{C}}_{60}$ in $({\mathrm{ND}}_{3}{)\mathrm{K}}_{3}{\mathrm{C}}_{60}$
    Margadonna, S., Prassides, K., Neumann, D.A., Shimoda, H., and Iwasa, Y., Phys. Rev. B 59, 943–947 (1999)
  7. A Raman Spectroscopy Study of the Separation of Hydrofluorocarbons Using Zeolites
    Crawford, M.K., Dobbs, K.D., Smalley, R.J., Corbin, D.R., Maliszewskyj, N., Udovic, T.J., Cavanagh, R.R., Rush, J.J., and Grey, C.P., J. Phys. Chem. B 103, 431–434 (1999)