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Powder diffraction methods for studies of borohydride-based energy storage materials

Bibliographic reference Ravnsbæk, Dorthe ; Filinchuk, Yaroslav ; Cerny, Radovan ; Jensen, Torben R.. Powder diffraction methods for studies of borohydride-based energy storage materials. In: Zeitschrift für Kristallographie. Crystalline Materials, Vol. 225, no. 12, p. 557-569 (December 2010)
Permanent URL http://hdl.handle.net/2078.1/70808
  1. Andreasen A., Sørensen M.B., Burkarl R., Møller B., Molenbroek A.M., Pedersen A.S., Andreasen J.W., Nielsen M.M., Jensen T.R., Interaction of hydrogen with an Mg–Al alloy, 10.1016/j.jallcom.2005.01.119
  2. Andreasen A., Sørensen M.B., Burkarl R., Møller B., Molenbroek A.M., Pedersen A.S., Vegge T., Jensen T.R., Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction, 10.1007/s00339-005-3423-x
  3. Arnbjerg Lene M., Ravnsbæk Dorthe B., Filinchuk Yaroslav, Vang Ronnie T., Cerenius Yngve, Besenbacher Flemming, Jørgensen Jens-Erik, Jakobsen Hans Jørgen, Jensen Torben R., Structure and Dynamics for LiBH4−LiCl Solid Solutions, 10.1021/cm902013k
  4. Babanova Olga A., Soloninin Alexei V., Stepanov Adolf P., Skripov Alexander V., Filinchuk Yaroslav, Structural and Dynamical Properties of NaBH4and KBH4: NMR and Synchrotron X-ray Diffraction Studies, 10.1021/jp9119606
  5. Balema Viktor P., Wiench Jerzy W., Pruski Marek, Pecharsky Vitalij K., Mechanically Induced Solid-State Generation of Phosphorus Ylides and the Solvent-Free Wittig Reaction, 10.1021/ja017908p
  6. Bogdanović Borislav, Schwickardi Manfred, Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials, 10.1016/s0925-8388(96)03049-6
  7. Bösenberg U., Kim J.W., Gosslar D., Eigen N., Jensen T.R., von Colbe J.M. Bellosta, Zhou Y., Dahms M., Kim D.H., Günther R., Role of additives in LiBH4–MgH2 reactive hydride composites for sorption kinetics, 10.1016/j.actamat.2010.02.012
  8. Bösenberg Ulrike, Ravnsbæk Dorthe B., Hagemann Hans, D’Anna Vincenza, Minella Christian Bonatto, Pistidda Claudio, van Beek Wouter, Jensen Torben R., Bormann Rüdiger, Dornheim Martin, Pressure and Temperature Influence on the Desorption Pathway of the LiBH4−MgH2Composite System, 10.1021/jp104814u
  9. Buchter F., Łodziana Z., Remhof A., Friedrichs O., Borgschulte A., Mauron Ph., Züttel A., Sheptyakov D., Barkhordarian G., Bormann R., Chłopek K., Fichtner M., Sørby M., Riktor M., Hauback B., Orimo S., Structure of Ca(BD4)2β-Phase from Combined Neutron and Synchrotron X-ray Powder Diffraction Data and Density Functional Calculations, 10.1021/jp800435z
  10. Buchter F., Łodziana Z., Remhof A., Friedrichs O., Borgschulte A., Mauron Ph., Züttel A., Sheptyakov D., Palatinus L., Chłopek K., Fichtner M., Barkhordarian G., Bormann R., Hauback B. C., Structure of the Orthorhombic γ-Phase and Phase Transitions of Ca(BD4)2, 10.1021/jp810521p
  11. Černý Radovan, Favre-Nicolin Vincent, Direct space methods of structure determination from powder diffraction: principles, guidelines and perspectives, 10.1524/zkri.2007.222.3-4.105
  12. Černý Radovan, Filinchuk Yaroslav, Hagemann Hans, Yvon Klaus, Magnesium Borohydride: Synthesis and Crystal Structure, 10.1002/anie.200700773
  13. Cerný Radovan, Solving crystal structures of metal and chemical hydrides, 10.1524/zkri.2008.1017
  14. Černý Radovan, Penin Nicolas, Hagemann Hans, Filinchuk Yaroslav, The First Crystallographic and Spectroscopic Characterization of a 3d-Metal Borohydride: Mn(BH4)2, 10.1021/jp9015883
  15. Cˇerný R., J. Phys. Chem. C., 114, 1357
  16. Černý Radovan, Ravnsbæk Dorthe B., Severa Godwin, Filinchuk Yaroslav, D’ Anna Vincenza, Hagemann Hans, Haase Dörthe, Skibsted Jørgen, Jensen Craig M., Jensen Torben R., Structure and Characterization of KSc(BH4)4, 10.1021/jp106280v
  17. Cˇerný R., Phys. Chem. C, 114, 19127
  18. Cˇerný R., J. Phys. Chem.
  19. Chernyshov D., Bosak A., Dmitriev V., Filinchuk Y., Hagemann H., Low-lying phonons inNaBH4studied by inelastic scattering of synchrotron radiation, 10.1103/physrevb.78.172104
  20. CLAUSEN B, In situ cell for combined XRD and on-line catalysis tests: Studies of Cu-based water gas shift and methanol catalysts, 10.1016/0021-9517(91)90168-4
  21. Chupas Peter J., Chapman Karena W., Kurtz Charles, Hanson Jonathan C., Lee Peter L., Grey Clare P., A versatile sample-environment cell for non-ambient X-ray scattering experiments, 10.1107/s0021889808020165
  22. Dai Bing, Sholl David S., Johnson J. Karl, First-Principles Study of Experimental and Hypothetical Mg(BH4)2Crystal Structures, 10.1021/jp710154t
  23. David W. I. F., Shankland K., Structure determination from powder diffraction data, 10.1107/s0108767307064252
  24. Dmitriev V., Filinchuk Y., Chernyshov D., Talyzin A. V., ilewski A., Andersson O., Sundqvist B., Kurnosov A., Pressure-temperature phase diagram ofLiBH4: Synchrotron x-ray diffraction experiments and theoretical analysis, 10.1103/physrevb.77.174112
  25. Dornheim M., Doppiu S., Barkhordarian G., Boesenberg U., Klassen T., Gutfleisch O., Bormann R., Hydrogen storage in magnesium-based hydrides and hydride composites, 10.1016/j.scriptamat.2007.01.003
  26. Eberle Ulrich, Felderhoff Michael, Schüth Ferdi, Chemical and Physical Solutions for Hydrogen Storage, 10.1002/anie.200806293
  27. Efron B., Tibshirani R., Bootstrap Methods for Standard Errors, Confidence Intervals, and Other Measures of Statistical Accuracy, 10.1214/ss/1177013815
  28. Fang Zhan-Zhao, Kang Xiang-Dong, Wang Ping, Li Hai-Wen, Orimo Shin-Ichi, Unexpected dehydrogenation behavior of LiBH4/Mg(BH4)2 mixture associated with the in situ formation of dual-cation borohydride, 10.1016/j.jallcom.2009.10.149
  29. Favre-Nicolin Vincent, Černý Radovan, FOX, `free objects for crystallography': a modular approach toab initiostructure determination from powder diffraction, 10.1107/s0021889802015236
  30. Fichtner M., Chlopek K., Longhini M., Hagemann H., Vibrational Spectra of Ca(BH4)2, 10.1021/jp801482b
  31. Filinchuk Yaroslav E., Yvon Klaus, Meisner Gregory P., Pinkerton Frederick E., Balogh Michael P., On the Composition and Crystal Structure of the New Quaternary Hydride Phase Li4BN3H10, 10.1021/ic0518226
  32. Filinchuk Y., Talyzin A. V., Chernyshov D., Dmitriev V., High-pressure phase ofNaBH4: Crystal structure from synchrotron powder diffraction data, 10.1103/physrevb.76.092104
  33. Filinchuk Yaroslav, Hagemann Hans, Structure and Properties of NaBH4·2H2O and NaBH4, 10.1002/ejic.200800053
  34. Filinchuk Yaroslav, Chernyshov Dmitry, Cerny Radovan, Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision, 10.1021/jp8025623
  35. Filinchuk Yaroslav, Chernyshov Dmitry, Dmitriev Vladimir, Light metal borohydrides: crystal structures and beyond, 10.1524/zkri.2008.1021
  36. Filinchuk Yaroslav, Chernyshov Dmitry, Nevidomskyy Andriy, Dmitriev Vladimir, High-Pressure Polymorphism as a Step towards Destabilization of LiBH4, 10.1002/anie.200704777
  37. Filinchuk Yaroslav, Nevidomskyy Andriy H., Chernyshov Dmitry, Dmitriev Vladimir, High-pressure phase and transition phenomena in ammonia boraneNH3BH3from x-ray diffraction, Landau theory, andab initiocalculations, 10.1103/physrevb.79.214111
  38. Filinchuk Yaroslav, Černý Radovan, Hagemann Hans, Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion, 10.1021/cm803019e
  39. FILINCHUK Y, RONNEBRO E, CHANDRA D, Crystal structures and phase transformations in Ca(BH4)2, 10.1016/j.actamat.2008.10.034
  40. Filinchuk Yaroslav, Talyzin Alexandr V., Hagemann Hans, Dmitriev Vladimir, Chernyshov Dmitry, Sundqvist Bertil, Cation Size and Anion Anisotropy in Structural Chemistry of Metal Borohydrides. The Peculiar Pressure Evolution of RbBH4, 10.1021/ic100359v
  41. Fischer P., Züttel Andreas, Order-Disorder Phase Transition in NaBD4, 10.4028/www.scientific.net/msf.443-444.287
  42. Friedrichs O., Kim J. W., Remhof A., Buchter F., Borgschulte A., Wallacher D., Cho Y. W., Fichtner M., Oh K. H., Züttel A., The effect of Al on the hydrogen sorption mechanism of LiBH4, 10.1039/b814282c
  43. Frommen Christoph, Aliouane Nadir, Deledda Stefano, Fonneløp Jon Erling, Grove Hilde, Lieutenant Klaus, Llamas-Jansa Isabel, Sartori Sabrina, Sørby Magnus H., Hauback Bjørn C., Crystal structure, polymorphism, and thermal properties of yttrium borohydride Y(BH4)3, 10.1016/j.jallcom.2010.02.180
  44. Gray E. MacA., Cookson D. J., Blach T. P., X-ray diffraction cell for studying solid–gas reactions under gas pressures to 100 bar, 10.1107/s0021889806039069
  45. Grochala Wojciech, Edwards Peter P., Thermal Decomposition of the Non-Interstitial Hydrides for the Storage and Production of Hydrogen, 10.1021/cr030691s
  46. Hagemann Hans, Longhini Moïse, Kaminski Jakub W., Wesolowski Tomasz A., Černý Radovan, Penin Nicolas, Sørby Magnus H., Hauback Bjørn C., Severa Godwin, Jensen Craig M., LiSc(BH4)4: A Novel Salt of Li+and Discrete Sc(BH4)4−Complex Anions, 10.1021/jp803201q
  47. Hagemann H., Filinchuk Y., Chernyshov D., van Beek W., Lattice anharmonicity and structural evolution of LiBH4: an insight from Raman and X-ray diffraction experiments, 10.1080/01411590802707688
  48. Hagemann Hans, Černý Radovan, Synthetic approaches to inorganic borohydrides, 10.1039/b927002g
  49. Hagemann, H.; d'Anne, V.; Rapin, J. P.; Cˇerný, R.; Filinchuk, Y.; Kim, K. Ch.; Sholl, D.; Parker, S. F.; New fundamental experimental studies on a-Mg(BH4)2and other borohydrides. J. Alloys Compd. (2010b) DOI: 10.1016/j.jallcom.2010.10.068.10.1016/j.jallcom.2010.10.068
  50. Hartman Michael R., Rush John J., Udovic Terrence J., Bowman Robert C., Hwang Son-Jong, Structure and vibrational dynamics of isotopically labeled lithium borohydride using neutron diffraction and spectroscopy, 10.1016/j.jssc.2007.01.031
  51. Hauback Björn C., Structures of aluminium-based light weight hydrides, 10.1524/zkri.2008.1020
  52. Her Jae-Hyuk, Stephens Peter W., Gao Yan, Soloveichik Grigorii L., Rijssenbeek Job, Andrus Matthew, Zhao Ji-Cheng, Structure of unsolvated magnesium borohydride Mg(BH4)2, 10.1107/s0108768107022665
  53. Jensen Torben R., Nielsen Thomas K., Filinchuk Yaroslav, Jørgensen Jens-Erik, Cerenius Yngve, Gray Evan MacA., Webb Colin J., Versatilein situpowder X-ray diffraction cells for solid–gas investigations, 10.1107/s0021889810038148
  54. Jin Seon-Ah, Shim Jae-Hyeok, Cho Young Whan, Yi Kyung-Woo, Zabara Oleg, Fichtner Maximilian, Reversible hydrogen storage in LiBH4–Al–LiH composite powder, 10.1016/j.scriptamat.2008.01.028
  55. Johnston Herrick L., Hallett Nathan C., Low Temperature Heat Capacities of Inorganic Solids. XIV. Heat Capacity of Sodium Borohydride from 15-300°K.1, 10.1021/ja01102a056
  56. Kudo Akihiko, Miseki Yugo, Heterogeneous photocatalyst materials for water splitting, 10.1039/b800489g
  57. Kumar Ravhi S., Cornelius Andrew L., Structural transitions in NaBH4 under pressure, 10.1063/1.2158505
  58. Lee Ji Youn, Ravnsbæk Dorthe, Lee Young-Su, Kim Yoonyoung, Cerenius Yngve, Shim Jae-Hyeok, Jensen Torben R., Hur Nam Hwi, Cho Young Whan, Decomposition Reactions and Reversibility of the LiBH4−Ca(BH4)2Composite, 10.1021/jp904400b
  59. Lee Young-Su, Shim Jae-Hyeok, Cho Young Whan, Polymorphism and Thermodynamics of Y(BH4)3from First Principles, 10.1021/jp104447z
  60. Lee Ji Youn, Lee Young-Su, Suh Jin-Yoo, Shim Jae-Hyeok, Cho Young Whan, Metal halide doped metal borohydrides for hydrogen storage: The case of Ca(BH4)2–CaX2 (X=F, Cl) mixture, 10.1016/j.jallcom.2010.07.051
  61. Lindemann Inge, Domènech Ferrer Roger, Dunsch Lothar, Filinchuk Yaroslav, Černý Radovan, Hagemann Hans, D'Anna Vincenza, Lawson Daku Latévi Max, Schultz Ludwig, Gutfleisch Oliver, Al3Li4(BH4)13: A Complex Double-Cation Borohydride with a New Structure, 10.1002/chem.201000831
  62. Luck R. L., Acta Cryst. C., 55, C9900151 (1999)
  63. Mao J.F., Guo Z.P., Liu H.K., Yu X.B., Reversible hydrogen storage in titanium-catalyzed LiAlH4–LiBH4 system, 10.1016/j.jallcom.2009.07.158
  64. Marks Tobin J., Kolb John R., Covalent transition metal, lanthanide, and actinide tetrahydroborate complexes, 10.1021/cr60306a004
  65. Marynick Dennis S., Lipscomb William N., Crystal structure of beryllium borohydride, 10.1021/ic50110a033
  66. Matsuo Motoaki, Nakamori Yuko, Orimo Shin-ichi, Maekawa Hideki, Takamura Hitoshi, Lithium superionic conduction in lithium borohydride accompanied by structural transition, 10.1063/1.2817934
  67. Matsuo Motoaki, Takamura Hitoshi, Maekawa Hideki, Li Hai-Wen, Orimo Shin-ichi, Stabilization of lithium superionic conduction phase and enhancement of conductivity of LiBH4 by LiCl addition, 10.1063/1.3088857
  68. McCusker L. B., Von Dreele R. B., Cox D. E., Louër D., Scardi P., Rietveld refinement guidelines, 10.1107/s0021889898009856
  69. Miwa Kazutoshi, Aoki Masakazu, Noritake Tatsuo, Ohba Nobuko, Nakamori Yuko, Towata Shin-ichi, Züttel Andreas, Orimo Shin-ichi, Thermodynamical stability of calcium borohydrideCa(BH4)2, 10.1103/physrevb.74.155122
  70. Mosegaard Lene, Møller Bitten, Jørgensen Jens-Erik, Filinchuk Yaroslav, Cerenius Yngve, Hanson Jonathan C., Dimasi Elaine, Besenbacher Flemming, Jensen Torben R., Reactivity of LiBH4:  In Situ Synchrotron Radiation Powder X-ray Diffraction Study, 10.1021/jp076999v
  71. Mozzanica Aldo, Bergamaschi Anna, Dinapoli Roberto, Gozzo Fabia, Henrich Beat, Kraft Philipp, Patterson Bruce, Schmitt Bernd, MythenII: A 128 channel single photon counting readout chip, 10.1016/j.nima.2009.03.166
  72. Nickels E. Anne, Jones Martin Owen, David William I. F., Johnson Simon R., Lowton Rebecca L., Sommariva Marco, Edwards Peter P., Tuning the Decomposition Temperature in Complex Hydrides: Synthesis of a Mixed Alkali Metal Borohydride, 10.1002/anie.200704949
  73. Nielsen Thomas K., Manickam Kandavel, Hirscher Michael, Besenbacher Flemming, Jensen Torben R., Confinement of MgH2Nanoclusters within Nanoporous Aerogel Scaffold Materials, 10.1021/nn901072w
  74. Nielsen Thomas K., Bösenberg Ulrike, Gosalawit Rapee, Dornheim Martin, Cerenius Yngve, Besenbacher Flemming, Jensen Torben R., A Reversible Nanoconfined Chemical Reaction, 10.1021/nn1006946
  75. Norby P., Hydrothermal Conversion of Zeolites:  Anin SituSynchrotron X-ray Powder Diffraction Study, 10.1021/ja964245g
  76. Orimo Shin-ichi, Nakamori Yuko, Eliseo Jennifer R., Züttel Andreas, Jensen Craig M., Complex Hydrides for Hydrogen Storage, 10.1021/cr0501846
  77. Paskevicius Mark, Sheppard Drew A., Buckley Craig E., Thermodynamic Changes in Mechanochemically Synthesized Magnesium Hydride Nanoparticles, 10.1021/ja908398u
  78. Petit J. R., Jouzel J., Raynaud D., Barkov N. I., Barnola J.-M., Basile I., Bender M., Chappellaz J., Davis M., Delaygue G., Delmotte M., Kotlyakov V. M., Legrand M., Lipenkov V. Y., Lorius C., PÉpin L., Ritz C., Saltzman E., Stievenard M., 10.1038/20859
  79. Pistorius Carl W. F. T., Melting and Polymorphism ofLiBH4to 45 kbar, 10.1524/zpch.1974.88.5_6.253
  80. Ravnsbaek Dorthe, Filinchuk Yaroslav, Cerenius Yngve, Jakobsen Hans J., Besenbacher Flemming, Skibsted Jørgen, Jensen Torben R., A Series of Mixed-Metal Borohydrides, 10.1002/anie.200903030
  81. Ravnsbaek Dorthe B., Sørensen Lise H., Filinchuk Yaroslav, Reed Daniel, Book David, Jakobsen Hans J., Besenbacher Flemming, Skibsted Jørgen, Jensen Torben R., Mixed-Anion and Mixed-Cation Borohydride KZn(BH4)Cl2: Synthesis, Structure and Thermal Decomposition, 10.1002/ejic.201000119
  82. Ravnsbæk Dorthe B., Filinchuk Yaroslav, Černý Radovan, Ley Morten B., Haase Dörthe, Jakobsen Hans J., Skibsted Jo̷rgen, Jensen Torben R., Thermal Polymorphism and Decomposition of Y(BH4)3, 10.1021/ic902279k
  83. Ravnsbæk Dorthe B., Jensen Torben R., Tuning hydrogen storage properties and reactivity: Investigation of the LiBH4–NaAlH4 system, 10.1016/j.jpcs.2010.03.023
  84. Reilly J. J., Wiswall R. H., Formation and properties of iron titanium hydride, 10.1021/ic50131a042
  85. Renaudin G., Gomes S., Hagemann H., Keller L., Yvon K., Structural and spectroscopic studies on the alkali borohydrides MBH4 (M = Na, K, Rb, Cs), 10.1016/j.jallcom.2003.11.018
  86. Riktor M. D., Sørby M. H., Chłopek K., Fichtner M., Buchter F., Züttel A., Hauback B. C., In situ synchrotron diffraction studies of phase transitions and thermal decomposition of Mg(BH4)2 and Ca(BH4)2, 10.1039/b712750b
  87. Rodríguez-Carvajal Juan, Recent advances in magnetic structure determination by neutron powder diffraction, 10.1016/0921-4526(93)90108-i
  88. Sato Toyoto, Miwa Kazutoshi, Nakamori Yuko, Ohoyama Kenji, Li Hai-Wen, Noritake Tatsuo, Aoki Masakazu, Towata Shin-ichi, Orimo Shin-ichi, Experimental and computational studies on solvent-free rare-earth metal borohydridesR(BH4)3(R=Y, Dy, and Gd), 10.1103/physrevb.77.104114
  89. Schlesinger H. I., Burg Anton B., Recent Developments in the Chemistry of the Boron Hydrides., 10.1021/cr60098a001
  90. Schlesinger H. I., Brown Herbert C., Hyde Earl K., The Preparation of Other Borohydrides by Metathetical Reactions Utilizing the Alkali Metal Borohydrides1, 10.1021/ja01097a055
  91. Shi Qing, Yu Xuebin, Feidenhans’l Robert, Vegge Tejs, Destabilized LiBH4−NaAlH4Mixtures Doped with Titanium Based Catalysts, 10.1021/jp804311s
  92. Skripov Alexander V., Soloninin Alexei V., Babanova Olga A., Hagemann Hans, Filinchuk Yaroslav, Nuclear Magnetic Resonance Study of Reorientational Motion in α-Mg(BH4)2, 10.1021/jp1037206
  93. Soulié J-Ph, Renaudin G, Černý R, Yvon K, Lithium boro-hydride LiBH4, 10.1016/s0925-8388(02)00521-2
  94. Stockmayer W. H., Stephenson C. C., The Nature of the Gradual Transition in Sodium Borohydride, 10.1063/1.1699207
  95. Sundqvist Bertil, Pressure-Temperature Phase Relations in Complex Hydrides, 10.4028/www.scientific.net/ssp.150.175
  96. Sundqvist Bertil, Andersson Ove, Thermal Conductivity and Phase Diagrams of Some Potential Hydrogen Storage Materials Under Pressure, 10.1007/s10765-009-0559-5
  97. Suryanarayana C., Mechanical alloying and milling, 10.1016/s0079-6425(99)00010-9
  98. Vajo John J., Skeith Sky L., Mertens Florian, Reversible Storage of Hydrogen in Destabilized LiBH4, 10.1021/jp040769o
  99. Züttel A., Rentsch S., Fischer P., Wenger P., Sudan P., Mauron Ph., Emmenegger Ch., Hydrogen storage properties of LiBH4, 10.1016/s0925-8388(02)01253-7