Structural stability of metal hydrides, alanates and borohydrides of alkali and alkali- earth elements: A review

International Journal of Hydrogen Energy

Volumn 35, Issue 11, 2010, Pages 5454-5470

  George, Lyci ^a   Saxena, Surendra K ^a  

^a The Department of Electrical and Computer Engineering   (United States)

Author keywords

High pressure; Hydrides; Hydrogen storage materials; X ray diffraction

Indexed keywords

ALANATES; BOROHYDRIDES; DECOMPOSITION BEHAVIORS; ELEVATED TEMPERATURE; HIGH- PRESSURE; HYDROGEN CONTENTS; HYDROGEN STORAGE CAPACITIES; HYDROGEN STORAGE MATERIALS; INTERATOMIC FORCES; LIGHT WEIGHT; METAL HYDRIDES; OPERATION TEMPERATURE; PERIODIC TABLE; POTENTIAL SOURCES; PRESSURE AND TEMPERATURE; SECOND GROUP; STRUCTURAL DATA; STRUCTURAL MEASUREMENTS; STRUCTURAL PHASE TRANSITION; STRUCTURAL STABILITIES; THERMODYNAMIC INFORMATION;

HYDRIDES; HYDROGEN; LIGHT METALS; LITHIUM BATTERIES; METALS; PHASE TRANSITIONS; STABILITY; TEMPERATURE; THERMODYNAMICS; X RAY DIFFRACTION;

HYDROGEN STORAGE;

EID: 77955288973     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2010.03.078     Document Type: Review

References (177)

1. W. Grochala, and P.P. Edwards Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen Chem Rev 104 3 2004 1283 1316
2. P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvag, and A. Kjekshus Design of potential hydrogen-storage materials using first-principle density-functional calculations Cryst Growth Des 4 3 2004 471 477
3. B. Bogdanovic, and M. Schwickardi Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials J Alloy Comp 253-254 1997 1 9
4. B. Bogdanovic, R.A. Brand, A. Marjanovic, M. Schwickardi, and J. Tolle Metal-doped sodium aluminium hydrides as potential new hydrogen storage materials J Alloy Comp 302 1-2 2000 36 58
5. F. Schuth, B. Bogdanovic, and M. Felderhoff Light metal hydrides and complex hydrides for hydrogen storage Chem Commun 20 2004 2249 2258
6. 4 J Alloy Comp 353 1-2 2003 310 314
7. M. Fichtner, O. Fuhr, and O. Kircher Magnesium alanate- a material for reversible hydrogen storage? J Alloy Comp 356-357 2003 418 422
8. 2 by combined X-ray and neutron diffraction J Alloy Comp 387 1-2 2005 47 51
9. 2 predicted from density-functional band-structure calculations Phys Rev B 71 14 2005 1144111
10. 4 J Alloy Comp 446-447 2007 301 305
11. A.G. Ostroff, and R.T. Sanderson Oxidation and thermal decomposition of sodium and potassium borohydrides J Inorg Nucl Chem 4 3-4 1957 230 231
12. 2 Phys Rev B 77 16 2008 165115 165117
13. 2 isomorphs; an ab initio free energy study J Phys Condens Matter 21 1 2009 012203
14. 2 J Alloy Comp 459 1-2 2008 583 588
15. 2 Int J Hydrogen Energy 34 2 2009 916 928
16. 2 J Alloy Comp 461 1-2 2008 L20 L22
17. 3 J Alloy Comp 450 1-2 2008 310 313
18. J. Huot, I. Swainson, and R. Schulz Phase transformation in magnesium hydride induced by ball milling Ann Chim Sci Mater 31 1 2006 135 144
19. 2 (M = Ce, Ca) composites J Phys Chem C 112 25 2008 9520 9524
20. 4 Rare Metals 25 6 2006 266 272
21. 4s surfaces studied by band structure calculations J Alloy Comp 373 1-2 2004 28 32
22. V.E. Antonov Phase transformations, crystal and magnetic structures of high-pressure hydrides of d-metals J Alloy Comp 330-332 2002 110 116
23. B. Baranowski, and S. Filipek Electrical properties of some metal-hydrogen systems under high gaseous hydrogen pressures J Less Common Met 88 2 1982 290
24. B. Baranowski Investigation of some metal-hydrogen systems in the high pressure region J Less Common Met 101 1984 115 129
25. T. Palasyuk, M. Tkacz, and P. Vajda High pressure studies of the erbium-hydrogen system Solid State Commun 135 4 2005 226 231
26. M. Tkacz Enthalpies of formation and decomposition of nickel hydride and nickel deuteride derived from (p, c, T) relationships J Chem Therm 33 8 2001 891 897
27. M. Tkacz, and R. Burtovyy Decomposition of the hexagonal copper hydride at high pressure Solid State Commun 132 1 2004 37 41
28. Y. Filinchuk, D. Chernyshov, and R. Cerny Lightest borohydride probed by synchrotron x-ray diffraction: experiment calls for a new theoretical revision J Phys Chem C 112 28 2008 10579 10584
29. L. Liu, and W.A. Bassett Elements, oxides, silicates: high pressure phases with implications for the earth's interior Oxford Monographs Geology Geophysics 4 1986
30. R. Ahuja, O. Eriksson, and B. Johansson Theoretical search for the CrB-type high-pressure phase in LiH, NaH, KH and RbH Physica B 265 1-4 1999 87 91
31. F.D. Murnaghan The compressibility of media under extreme pressures PNAS 30 9 1944 244 247
32. Angel RJ. Equations of state. In: Hazen RM, Downs RT. (Eds.) High-pressure, High-temperature Crystal Chemistry 2001;41:35-60.
33. F. Birch Finite elastic strain of cubic crystals Phys Rev 71 11 1947 809
34. L. George, R. Hrubiak, K. Rajan, and S.K. Saxena Principal component analysis on properties of binary and ternary hydrides and a comparison of metal versus metal hydride properties J Alloy Comp 478 1-2 2009 731 735
35. New World Encyclopedia, Internet communication 2008.
36. Yuh Fukai The metal-hydrogen system 1993 Springer Berlin/Heidelberg/New York 21
37. S.J. Duclos, Y.K. Vohra, A.L. Ruoff, S. Filipek, and B. Baranowski High-pressure studies of NaH to 54 GPa Phys Rev B 36 14 1987 7664 7667
38. J. Sangster, A. Pelton, H.-K. The (hydrogen-potassium) system J Phase Equilib 18 4 1997 387 389
39. J. Sangster, and A. Pelton The H-Rb (hydrogen-rubidium) system J Phase Equilib 15 1 1994 87 89
40. J. Songster, and A. Pelton The H-Cs (hydrogen-cesium) system J Phase Equilib 15 1 1994 84 86
41. 2: an ab initio study Chem Phys Lett 378 3-4 2003 343 348
42. B. Li, Y.W. Li, K.F. Yang, Q.L. Cui, Y.M. Ma, and G.T. Zou Raman evidence of a new high-pressure phase in calcium hydride J Phys Condens Matter 19 22 2007 226205
43. 2 at high pressures Phys Rev B 75 13 2007 134108
44. J.S. Smith, S. Desgreniers, D.D. Klug, and J.S. Tse High-density strontium hydride: an experimental and theoretical study Solid State Commun 149 21-22 2009 830 834
45. 2In phase Solid State Commun 141 2 2007 69 72
46. J.S. Smith, S. Desgreniers, J.S. Tse, and D.D. Klug High-pressure phase transition observed in barium hydride J Appl Phys 102 4 2007 043520
47. I.O. Bashkin, T.N. Dymova, and E.G. Ponyatovskii On the structural transition from NaCl to CsCl type in alkali hydrides Physica Status Solidi B 100 1 2006 87 92
48. 2 destabilized with Si J Phys Chem B 108 37 2004 13977 13983
49. R. Ahuja, O. Eriksson, J.M. Wills, and B. Johansson Theoretical high-pressure studies of caesium hydride J Phys Condens Matter 10 9 1998 L153 L158
50. S. Filipek Metal hydrides under high hydrostatic pressure J Adv Sci 19 2007 1 10
51. D.R. Stephens, and E.M. Lilley Compressions of isotopic lithium hydrides J Appl Phys 39 1 1968 177 180
52. B. Olinger, and P.M. Halleck Structure of LiH to 12 GPa Appl Phys Lett 24 11 1974 536 537
53. G. Li, D. Wang, Q. Jin, and D. Ding Structural phase transition of NaH and LiH under high pressure Phys Lett A 143 9 1990 473 476
54. K. Ghandehari, H. Luo, A.L. Ruoff, S.S. Trail, and F.J. Disalvo New high-pressure crystal-structure and equation of state of cesium hydride to 253 GPa Phys Rev Lett 74 12 1995 2264 2267
55. 2 J Chem Phys 124 1 2006 014502
56. 2 Phys Rev B 73 22 2006 224102
57. J. Hector, J.F. Herbst, W. Wolf, P. Saxe, and G. Kresse Ab initio thermodynamic and elastic properties of alkaline- earth metals and their hydrides Phy Rev B 76 1 2007 014121
58. 2 J Phys Condens Matter 20 4 2008 045211
59. 2 J Alloy Comp 446 2007 405 408
60. C. Cazorla, and J. Boronat Isotopic effects in solid LiH and LiD at very low temperature J Low Temp Phys 139 5-6 2005 645 650
61. Y. Kondo, and K. Asaumi Effect of pressure on the direct energy gap of LiH J Phys Soc Jpn 57 1988 367 371
62. 7LiD from x-ray diffraction to 94 GPa Phys Rev B 57 17 1998 10403 10406
63. T. Ogitsu, E. Schwegler, F. Gygi, and G. Galli Melting of lithium hydride under pressure Phys Rev Lett 91 17 2003 175502
64. A.B. Kunz, and D.J. Mickish Electronic structure of LiH and NaH Phys Rev B 11 4 1975 1700
65. H.D. Hochheimer, K. Strossner, W. Honle, B. Baranowski, and F. Filipek High-pressure X-ray investigation of the alkali hydrides NaH, KH, RbH, and CsH Z Phys Chem Neue Folge 143 1985 139 144
66. T. Kelkar, S. Pal, and D.G. Kanhere Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride ChemPhysChem 9 6 2008 928 934
67. 2 at finite temperatures Comput Mater Sci 42 3 2008 510 516
68. J.R. Santisteban, G.J. Cuello, J. Dawidowski, A. Fainstein, H.A. Peretti, and A. Ivanov Vibrational spectrum of magnesium hydride Phys Rev B 62 1 2000 37
69. 2 Phys Rev Lett 89 17 2002 175506
70. J.F. Stampfer, C.E. Holley, and J.F. Suttle The magnesium-hydrogen system J Amer Chem Soc 82 14 2002 3504 3508
71. 2 by neutron powder diffraction J Alloy Comp 287 1-2 1999 L4 L6
72. 2 under high pressure Solid State Commun 148 9-10 2008 403 405
73. V.C.Y. Kong, D.W. Kirk, F.R. Foulkes, and J.T. Hinatsu Development of hydrogen storage for fuel cell generators II: utilization of calcium hydride and lithium hydride Int J Hydrogen Energy 28 2 2003 205 214
74. 2: a pseudopotential study J Mol Struct Theochem 532 1-3 2000 183 193
75. 2: an ab initio Hartree-Fock study Chem Phys 252 1-2 2000 1 8
76. 2: a pseudopotential study J Mol Struct Theochem 577 2-3 2002 161 175
77. Vennila RS, George L, Drozd V, Saxena SK. In situ X-ray diffraction and Raman study on the phase transformation in LiAlH4 under high pressure - a comparison. Poster presented at SMEC2007.
78. 4 Phys Rev B 75 17 2007 174110
79. 4 from first principle calculations J Alloy Comp 363 1-2 2004 L7 L11
80. P. Ravindran, P. Vajeeston, R. Vidya, H. Fjellvag, and A. Kjekshus Modeling of hydrogen storage materials by density-functional calculations J Power Sources 159 1 2006 88 99
81. 2 J Phys Condens Matter 19 17 2007 176205
82. 4 Angew Chem Int Ed 47 3 2008 529 532
83. 4: theory and experiments J Phys Chem B 111 50 2007 13873 13876
84. 4 under pressure Appl Phys Lett 87 26 2005 261916
85. 4 under compression J Phys Chem C 112 22 2008 8452 8457
86. 4 under compression J Alloy Comp 476 1-2 2009 5 8
87. 4 (A = Li, Na, K, Rb, Cs) from first principle calculation J Alloy Comp 387 1-2 2005 97 104
88. D.S. Marynick, and W.N. Lipscomb Crystal structure of beryllium borohydride Inrog Chem 11 4 2002 820 823
89. 2 with synchrotron X-ray diffraction: structure revision, crystal chemistry, and anomalous thermal expansion Chem Mater 21 5 2009 925 933
90. L. George, V. Drozd, S.K. Saxena, E.G. Bardaji, and M. Fichtner High- pressure investigation on calcium borohydride J Phys Chem C 113 33 2009 15087 15090
91. 2 Acta Materialia 57 3 2009 732 738
92. 4 J Phys Chem B 110 23 2006 11088 11097
93. 4 under high-pressure conditions Phys Rev B 70 18 2004 180101
94. 4 hydrogen storage materials prepared by the one-step direct synthesis method J Alloy Comp 471 1-2 2009 383 386
95. C.M. Jensen, R. Zidan, N. Mariels, A. Hee, and C. Hagen Advanced titanium doping of sodium aluminum hydride: Segue to a practical hydrogen storage material? Int J Hydrogen Energy 24 5 1999 461 465
96. A. Zaluska, L. Zaluski, and J.O. Strom-Olsen Sodium alanates for reversible hydrogen storage J Alloy Comp 298 1-2 2000 125 134
97. R.A. Zidan, S. Takara, A.G. Hee, and C.M. Jensen Hydrogen cycling behavior of zirconium and titanium-zirconium-doped sodium aluminum hydride J Alloy Comp 285 1-2 1999 119 122
98. 4 J Alloy Comp 356-357 2003 400 404
99. R.K. Ahluwalia Sodium alanate hydrogen storage system for automotive fuel cells Int J Hydrogen Energy 32 9 2007 1251 1261
100. K.J. Gross, G.J. Thomas, and C.M. Jensen Catalyzed alanates for hydrogen storage J Alloy Comp 330-332 2002 683 690
101. K.J. Gross, G. Sandrock, and G.J. Thomas Dynamic in situ X-ray diffraction of catalyzed alanates J Alloy Comp 330-332 2002 691 695
102. K.J. Gross, E.H. Majzoub, and S.W. Spangler The effects of titanium precursors on hydriding properties of alanates J Alloy Comp 356-357 2003 423 428
103. 4: a potential candidate for hydrogen storage? Appl Phys Lett 82 14 2003 2257 2259
104. 4 by Raman spectroscopy up to 17 GPa High Press Res 26 3 2006 165 173
105. 4 catalyzed with scandium J Alloy Comp 450 1-2 2008 293 300
106. R.S. Vennila, V. Drozd, L. George, S.K. Saxena, H.P. Liermann, and H.Z. Liu Structural study of ball-milled sodium alanate under high pressure J Alloy Comp 473 1-2 2009 576 578
107. 4 studied by vibrational spectroscopy and X-ray diffraction J Alloy Comp 390 1-2 2005 305 313
108. G.P. Meisner, G.G. Tibbetts, F.E. Pinkerton, C.H. Olk, and M.P. Balogh Enhancing low pressure hydrogen storage in sodium alanates J Alloy Comp 337 1-2 2002 254 263
109. R.A. Dunlap, Z.H. Cheng, G.R. MacKay, J.W. O'Brien, and D.A. Small Preparation of nanocrystalline metal hydrides by ball milling Hyperfine Inter 130 1 2000 109 126
110. 4 and its implications to hydrogen storage Phys Rev B 68 21 2003 212101
111. B.M. Bulychev, V.N. Verbetskii, and K.N. Semenenko Russ J Inrog Chem 22 1977 1611
112. 4: a comparison of DFT methodologies J Phys Chem B 110 1 2006 622 630
113. P. Vajeeston, P. Ravindran, A. Kjekshus, and H. Fjellvag High hydrogen content complex hydrides: a density-functional study Appl Phys Lett 89 7 2006 071906
114. Y. Filinchuk, D. Chernyshov, and V. Dmitriev Light metal borohydrides: crystal structures and beyond Z für Kristallographie 223 2008 649 659
115. 4 J Alloy Comp 356-357 2003 515 520
116. 4 and its decomposition products Phy Rev B 73 17 2006 174302 174309
117. 4 J Solid State Chem 180 2 2007 510 517
118. 4 a new hydrogen storage material J Power Sources 118 1-2 2003 1 7
119. 4: I. Crystal structure J Alloy Comp 346 1-2 2002 200 205
120. 4 for hydrogen storage: crystal structures and reaction mechanisms of intermediate phases Appl Phys Lett 87 11 2005 111904
121. 4 J Alloy Comp 404-406 2005 140 143
122. 4 Phys Rev B 69 24 2004 245120
123. 4 Phy Rev B 74 7 2006 075110 075117
124. H.L. Johnston, and N.C. Hallett Low temperature heat capacities of inorganic solids-XIV. Heat capacity of sodium borohydride from 15-300 K J Amer Chem Soc 75 6 2002 1467 1468
125. C.C. Stephenson, D.W. Rice, and W.H. Stockmayer Order-disorder transitions in the alkali borohydrides J Chem Phys 23 10 1955 1960
126. N.C. Hallett, and H.L. Johnston Low temperature heat capacities of inorganic solids- XIII. Heat capacity of lithium borohydride J Amer Chem Soc 75 6 2002 1496 1497
127. 4 revisited Phys Rev Lett 93 14 2004 145501
128. 4 Chem Phys Lett 405 1-3 2005 73 78
129. H.I. Schlesinger, and H.C. Brown Metallo borohydrides- III. Lithium borohydride J Amer Chem Soc 62 12 2002 3429 3435
130. H.I. Schlesinger, H.C. Brown, H.R. Hoekstra, and L.R. Rapp Reactions of diborane with alkali metal hydrides and their addition compounds. New syntheses of borohydrides: sodium and potassium borohydrides J Amer Chem Soc 75 1 2002 199 204
131. E.M. Fedneva, V.L. Alpatova, and V.I. Mikheeva Russ J Inrog Chem 9 6 1964 826 827
132. 2 J Alloy Comp 404-406 2005 185 190
133. 4: synchrotron x-ray diffraction experiments and theoretical analysis Phys Rev B 77 17 2008 174112
134. Z.P. Li, B.H. Liu, K. Arai, K. Asaba, and S. Suda Evaluation of alkaline borohydride solutions as the fuel for fuel cell J Power Sources 126 1-2 2004 28 33
135. E. Shafirovich, V. Diakov, and A. Varma Combustion-assisted hydrolysis of sodium borohydride for hydrogen generation Int J Hydrogen Energy 32 2 2007 207 211
136. 4 Eur Powder Diffraction Epdic-8 443 4 2004 287 290
137. 4 under pressure Phys Rev B 73 9 2006 1092102
138. 4 Solid State Commun 139 10 2006 516 521
139. B. Sundqvist, O. Andersson, and A.V. Talyzin Phase transitions in hydrogen storage compounds under pressure J Phys Condens Matter 19 42 2007 425201
140. 4 Phys Rev B 72 5 2005 054125
141. 4: crystal structure from synchrotron powder diffraction data Phys Rev B 76 9 2007 092104
142. V. Ozolins, E.H. Majzoub, and C. Wolverton First-principles prediction of a ground state crystal structure of magnesium borohydride Phys Rev Lett 100 13 2008 135501
143. 2 under pressure J Phys Chem C 113 1 2009 486 492
144. 4 J Solid State Chem 59 3 1985 393 396
145. R. Aiello, M.A. Matthews, D.L. Reger, and J.E. Collins Production of hydrogen gas from novel chemical hydrides Int J Hydrogen Energy 23 12 1998 1103 1108
146. D. Hua, Y. Hanxi, A. Xinping, and C. Chuansin Hydrogen production from catalytic hydrolysis of sodium borohydride solution using nickel boride catalyst Int J Hydrogen Energy 28 10 2003 1095 1100
147. W.H. Stockmayer, and C.C. Stephenson The nature of the gradual transition in sodium borohydride J Chem Phys 21 7 1953 1311 1312
148. 4 (M = Li, Na, and K) Mater Sci Eng B 108 1-2 2004 51 53
149. Y. Kojima, and T. Haga Recycling process of sodium metaborate to sodium borohydride Int J Hydrogen Energy 28 9 2003 989 993
150. M. Ay, A. Midilli, and I. Dincer Investigation of hydrogen production from boron compounds for PEM fuel cells J Power Sources 157 1 2006 104 113
151. F. Birch Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300 K J Geophys Res 83 1978 1257 1268
152. 4]- anionsin alkali borohydrides J Alloy Comp 363 1-2 2004 129 132
153. 4 (M = Na, K, Rb, Cs) J Alloy Comp 375 1-2 2004 98 106
154. 2 J Mater Chem 17 33 2007 3496 3503
155. Y. Nakamori, K. Miwa, A. Ninomiya, H. Li, N. Ohba, and S. Towata Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: first-principles calculations and experiments Phy Rev B 74 4 2006 045126 045129
156. 2 Chem Mater 20 15 2008 4952 4956
157. V.N. Konoplev, and V.M. Bakulina Some properties of magnesium borohydride Russ Chem Bull 20 1 1971 136 138
158. D. Goerrig Verfahren zur herstellung von boranaten Ger Patent 1958 1077644
159. 2 Int J Hydrogen Energy 34 5 2009 2144 2152
160. 2 accompanying with formation of intermediate compounds Acta Materialia 56 6 2008 1342 1347
161. 2 composite J Phys Chem C 112 7 2008 2743 2749
162. 2 J Power Sources 181 1 2008 140 143
163. E. Ronnebro, and E.H. Majzoub Calcium borohydride for hydrogen storage: catalysis and reversibility J Phys Chem B 111 42 2007 12045 12047
164. R. Cerny, Y. Filinchuk, H. Hagemann, and K. Yvon Magnesium borohydride: synthesis and crystal structure Angew Chem Int Ed 46 30 2007 5765 5767
165. 2 Acta Crystallogr Sec B 63 4 2007 561 568
166. 2 Script Mater 57 8 2007 679 682
167. 4 J Alloy Comp 462 1-2 2008 201 208
168. 2 Inrog Chem 46 22 2007 9039 9041
169. 2 Appl Phys Lett 81 11 2002 2008 2010
170. 2 Phys Rev B 74 15 2006 155122
171. 2 Appl Phys A 92 3 2008 601 605
172. 2 beta-phase from combined neutron and synchrotron X-ray powder diffraction data and density functional calculations J Phys Chem B 112 27 2008 8042 8048
173. 2 Phys Rev B 79 10 2009 104107
174. E.H. Majzoub, and E. Ronnebro Crystal structures of calcium borohydride: theory and experiment J Phys Chem C 113 8 2009 3352 3358
175. 2 J Mater Chem 17 2007 4939 4942
176. M.R. Hartman, J.J. Rush, T.J. Udovic, J. Bowman, and S.J. Hwang Structure and vibrational dynamics of isotopically labeled lithium borohydride using neutron diffraction and spectroscopy J Solid State Chem 180 4 2007 1298 1305
177. 4 J Chem Phys 131 7 2009 074505 074507