Stability of the hydrogen-storage compound Li6Mg(NH)4 from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 1, 2011, Pages

  Zhang, Feng ^a   Wang, Yan ^a   Chou, M Y ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79551519588     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.012101     Document Type: Article

References (21)

1. P. Chen, Z. Xiong, J. Luo, J. Lin, and K. L. Tan, Nature (London) NATUAS 0028-0836 10.1038/nature01210 420, 302 (2002).
2. Y. H. Hu and E. Ruckenstein, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp036257b 107, 9737 (2003).
3. T. Ichikawa, N. Hanada, S. Isobe, H. Leng, and H. Fuji, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp049968y 108, 7887 (2004).
4. H. Y. Leng, T. Ichikawa, S. Hino, N. Hanada, S. Isobe, and H. Fujii, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp048002j 108, 8763 (2004).
5. W. Luo and S. Sickafoose, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.06.046 407, 274 (2006).
6. Y. Kojima and Y. Kawai, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2004.10.063 395, 236 (2005).
7. J. Yang, A. Sudik, and C. Wloverton, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2006.05.039 430, 334 (2007).
8. A. R. Akbarzadeh, V. Ozolins, and C. Wolverton, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.200700843 19, 3233 (2007).
9. J. Rijssenbeek, Y. Gao, J. Hanson, Q. Huang, C. Jones, and B. Toby, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2006.12.008 454, 233 (2008).
10. Y. Wang and M. Y. Chou, Phys. Rev. B JALCEU 1098-0121 10.1103/PhysRevB.76.014116 76, 014116 (2007).
11. Z. Ma and M. Y. Chou, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3003067 104, 083519 (2008).
12. K. J. Michel, A. R. Akbarzadeh, and V. Ozolins, J. Phys. Chem. C JAPIAU 1932-7447 10.1021/jp903797v 113, 14551 (2009).
13. J. F. Herbst and L. G. Hector, Jr., Phys. Rev. B JAPIAU 1098-0121 10.1103/PhysRevB.72.125120 72, 125120 (2005).
14. M. P. Balogh, C. Y. Jones, J. F. Herbst, L. G. Hector Jr., and M. Kundrat, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.11.018 420, 326 (2006).
15. T. Mueller and G. Cedar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.174307 82, 174307 (2010).
16. G. Miceli, M. Ceriotti, M. Bernasconi, and M. Parrinello, e-print arXiv: 1009.1488 (to be published).
17. G. Kresse and J. Furthmüller, Phys. Rev. B JALCEU 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
18. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
19. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B CMMSEM 1098-0121 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
20. D. Vanderbilt, Phys. Rev. B CMMSEM 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
21. T. Mueller and G. Ceder, Phys. Rev. B CMMSEM 1098-0121 10.1103/PhysRevB.74.134104 74, 134104 (2006).