Ultraviolet activation of thermal decomposition of α-alane

International Journal of Hydrogen Energy

Volumn 37, Issue 19, 2012, Pages 14405-14412

  Gabis, I E ^a   Voyt, A P ^a   Chernov, I A ^b   Kuznetsov, V G ^a   Baraban, A P ^a   Elets, D I ^a   Dobrotvorsky, M A ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b INSTITUTE OF APPLIED MATHEMATICAL RESEARCH   (Russian Federation)

Author keywords

Alane; Decomposition kinetics; Dehydriding kinetics; Electronic structure; Hydrogen vacancies; UV activation

Indexed keywords

ATOMS; CATHODES; CHEMICAL ACTIVATION; CRYSTAL ATOMIC STRUCTURE; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DESORPTION; ELECTRODES; ELECTRONIC STRUCTURE; HYDROGEN; IRRADIATION; KINETICS; LATTICE THEORY; LIGHT; LUMINESCENCE; THERMAL DESORPTION SPECTROSCOPY;

ALANE; DECOMPOSITION KINETICS; DEHYDRIDING KINETICS; HYDROGEN VACANCIES; UV ACTIVATIONS;

VACANCIES;

EID: 84866057319     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.07.042     Document Type: Article

References (33)

1. J. Graetz New approaches to hydrogen storage Chem Soc Rev 38 2009 73 82
2. 2desorption kinetics J Alloys Compd 421 2006 185 189
3. J. Graetz, J. Reilly, V. Yartys, J. Maehlen, B. Bulychev, and V. Antonov Aluminum hydride as a hydrogen and energy storage material: past, present and future J Alloys Compd 509S 2011 S517 S528
4. 3J Alloys Compd 509S 2011 S671 S674
5. 3J Alloys Compd 509 Suppl 2 2011 S667 S670
6. 3predicted by a first-principles study Phys Rev B 71 2005 184107 184177
7. M. Van Setten, V. Popa, G. De Wijs, and G. Brocks Electronic structure and optical properties of lightweight metal hydrides Phys Rev B 75 2007 035204 035213
8. G.W. The Method Rep Prog Phys 61 1998 237 312
9. G. Onida, L. Reining, and A. Rubio Electronic excitations: density-functional versus many-body Green's-function approaches Rev Mod Phys 74 2002 601 659
10. W. Aulbur, L. Jonsson, and J. Wilkins Quasiparticle calculations in solids Solid State Phys 54 1999 1 218
11. P. Herley, O. Christofferson, and R. Irwin Decomposition of α-aluminum hydride powder. 1. Thermal decomposition J Phys Chem 85 1981 1874 1881
12. P. Herley, and O. Christofferson Decomposition of α-aluminum hydride powder. 2. Photolytic decomposition J Phys Chem 85 1981 1882 1886
13. P. Herley, and O. Christofferson Decomposition of α-aluminum hydride powder. 3. Simultaneous photolytic-thermal decomposition J Phys Chem 85 1981 1887 1892
14. B. Bulychev, P. Storozhenko, and V. Fokin 'One-step' synthesis of nonsolvated aluminum hydride Russ Chem Bull 58 2009 1817 1823
15. 2: experimental studies and mechanism and modelling Int J Hydrogen Energy 35 2010 9060 9069
16. J. Turley, and H. Rinn Crystal structure of aluminum hydride Inorg Chem 8 1969 18 22
17. 3in the aluminum-hydrogen system Appl Phys Lett 93 2008 151918 151923
18. J. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys Rev Lett 77 1996 3865 3868
19. M. Payne, M. Teter, D. Alan, T. Arias, and J. Joannopoulos Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients Rev Mod Phys 64 1992 1045 1097
20. M. Segall, P. Lindan, M. Probert, C. Pickard, P. Hasnip, and S. Clark First-principles simulation: ideas and illustrations and the CASTEP code J Phys Condens Matter 14 2002 2717 2744
21. Accelrys. Materials Studio 6.0; 2012.
22. D. Vanderbilt Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Phys Rev B 41 1990 7892 7895
23. D. Sanchez-Portal, E. Artacho, and J. Soler Projection of plane-wave calculations into atomic orbitals Solid State Commun 95 1995 685 690
24. D. Sanchez-Portal, E. Artacho, and J. Soler Analysis of atomic orbital basis sets from the projection of plane-wave results J Phys Condens Matter 8 1996 3859 3880
25. M. Segal, R. Shah, C. Pickard, and M. Payne Population analysis of plane-wave electronic structure calculations of bulk materials Phys Rev B 54 1996 16317 16320
26. I. Tupitsyn, R. Évarestov, and V. Smirnov Projection technique for population analysis of atomic orbitals in crystals Phys Solid State 47 2005 1837 1846
27. 3Optics Spectros 53 1982 506 508
28. 3Optics Spectros 84 1998 870 872
29. M. Goryaev Vacancy mechanism of the photolysis of aluminum hydride Optics Spectros 88 2000 42 45
30. K. Demidov, and M. Goryaev Total spectrum of localized states and photosensitivity of aluminum Optics Spectros 45 1978 822 823
31. 3formation Int J Hydrogen Energy 33 2008 5589 5595
32. Antonov, V. Private Communication; 2011.
33. 3polymorphs J Phys Chem B 109 2005 22181 22185