LiH as a Li+ and H- ion provider

Solid State Ionics

Volumn 253, Issue , 2013, Pages 53-56

  Hoang, Khang ^a,b,c   Van De Walle, Chris G ^a  

^a University of California   (United States)

^b GEORGE MASON UNIVERSITY   (United States)

^c NORTH DAKOTA STATE UNIVERSITY   (United States)

Author keywords

Defects; First principles; Hydrogen storage; Kinetics; Lithium hydride; Lithium ion batteries

Indexed keywords

FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; HYDROGEN VACANCIES; LITHIUM HYDRIDES; LITHIUM-ION BATTERY; NEGATIVELY CHARGED; POSITIVELY CHARGED;

DEFECTS; ENZYME KINETICS; HYDRIDES; HYDROGEN; HYDROGEN STORAGE; LITHIUM; LITHIUM BATTERIES;

LITHIUM ALLOYS;

EID: 84884658557     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2013.08.017     Document Type: Article

References (35)

1. U. Eberle, M. Felderhoff, and F. Schüth Angew. Chem. Int. Ed. 48 2009 6608
2. W. Grochala, and P.P. Edwards Chem. Rev. 104 2004 1283
3. P. Chen, Z.T. Xiong, J.Z. Luo, J.Y. Lin, and K.L. Tan Nature 420 2002 302
4. H.Y. Leng, T. Ichikawa, S. Hino, N. Hanada, S. Isobe, and H. Fujii J. Phys. Chem. B 108 2004 8763
5. Y. Oumellal, A. Rougier, G.A. Nazri, J.-M. Tarascon, and L. Aymard Nat. Mater. 7 2008 916
6. H. Siefken, C. Stein, and R. Copeland Rev. Sci. Instrum. 63 1992 3394
7. G. Powell, G. McGuire, D. Easton, and R. Clausing Surf. Sci. 46 1974 345
8. P.A. Varotsos, and S. Mourikis Phys. Rev. B 10 1974 5220
9. M. Ikeya J. Phys. Soc. Jpn. 42 1977 168
10. R. Pandey, and A.M. Stoneham J. Phys. C Solid State Phys. 18 1985 5289
11. K. Hoang, A. Janotti, and C.G. Van de Walle Phys. Rev. B 85 2012 064115
12. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
13. P.E. Blöchl Phys. Rev. B 50 1994 17953
14. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
15. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
16. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
17. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
18. J. Heyd, G.E. Scuseria, and M. Ernzerhof J. Chem. Phys. 118 2003 8207
19. J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, and J.G. Ángyán J. Chem. Phys. 124 2006 154709
20. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
21. G. Henkelman, B.P. Uberuaga, and H. Jónsson J. Chem. Phys. 113 2000 9901
22. G.B. Wilson-Short, A. Janotti, K. Hoang, A. Peles, and C.G. Van de Walle Phys. Rev. B 80 2009 224102
23. C.G. Van de Walle, and J. Neugebauer J. Appl. Phys. 95 2004 3851
24. C. Freysoldt, J. Neugebauer, and C.G. Van de Walle Phys. Rev. Lett. 102 2009 016402
25. C. Freysoldt, J. Neugebauer, and C.G. Van de Walle Phys. Status Solidi B 248 2011 1067
26. D.R. Stephens, and E.M. Lilley J. Appl. Phys. 39 1968 177
27. J.L. Martins Phys. Rev. B 41 1990 7883
28. M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt Phys. Rev. B 73 2006 045112
29. J. Paier, R. Asahi, A. Nagoya, and G. Kresse Phys. Rev. B 79 2009 115126
30. M.H. Brodsky, and E. Burstein J. Phys. Chem. Solids 28 1967 1655
31. V.G. Plekhanov, V.A. Pustovarov, A.A. O'Konnel-Bronin, T.A. Betenekova, and S.O. Cholakh Sov. Phys. Solid State 18 1976 2438
32. J.M.W. Chase NIST-JANAF Thermochemical Tables 4th ed. 1998 American Chemical Society Washington, D.C.
33. M.J. van Setten, V.A. Popa, G.A. de Wijs, G.A. de Wijs, and G. Brocks Phys. Rev. B 75 2007 035204
34. D.J. Siegel, C. Wolverton, and V. Ozoliņš Phys. Rev. B 75 2007 014101
35. A. Roy, A. Janotti, and C.G. Van de Walle Appl. Phys. Lett. 102 2013 033902