First-principles studies of hydrogen interaction with ultrathin Mg and Mg-based alloy films

Physical Review B - Condensed Matter and Materials Physics

Volumn 83, Issue 4, 2011, Pages

  Yoon, Mina ^a,b   Weitering, Hanno H ^a,c   Zhang, Zhenyu ^a,c,d  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^c UNIVERSITY OF TENNESSEE   (United States)

^d UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79551666865     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.83.045413     Document Type: Article

References (39)

1. L. Schlapbach and A. Züttel, Nature (London) 0028-0836 10.1038/35104634 414, 353 (2001).
2. S. Satyapal, Catal. Today 0920-5861 10.1016/j.cattod.2006.09.022 120, 246 (2007).
3. I. P. Jain, Int. J. Hydrogen Energy 0360-3199 10.1016/0360-3199(88)90005- 5 13, 15 (1988);
4. G. Barkhordarian, T. Klassen, and R. Bormann, J. Phys. Chem. B 1520-6106 10.1021/jp0541563 110, 11020 (2006).
5. J. J. Reilly Jr. and R. H. Wiswall Jr., Inorg. Chem. INOCAJ 0020-1669 10.1021/ic50069a016 7, 2254 (1968);
6. S. V. Alapati, J. K. Johnson, and D. S. Sholl, J. Phys. Chem. B 1520-6106 10.1021/jp060482m 110, 8769 (2006).
7. V. Bérubé, G. Radtke, M. Dresselhaus, and G. Chen, Int. J. Energy Res. 0363-907X 10.1002/er.1284 31, 637 (2007).
8. A. Zaluska, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0166-0462(99) 00013-7 289, 197 (1999);
9. C. Z. Wu, J. Alloys Compd. JALCEU 0925-8388 10.1016/j.jallcom.2005.10.028 420, 278 (2006);
10. W. Y. Li, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja071323z 129, 6710 (2007);
11. X. Yao, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0751431 129, 15650 (2007).
12. M. M. Ozer, Y. Jia, Z. Y. Zhang, J. R. Thompson, and H. H. Weitering, Science SCIEAS 0036-8075 10.1126/science.1142159 316, 1594 (2007).
13. C. M. Wei and M. Y. Chou, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.75.195417 75, 195417 (2007).
14. M. Tallarida, Ph.D. thesis, Freie Universität, 2005.
15. C. W. Ostenfeld, J. C. Davies, T. Vegge, and I. Chorkendorff, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2005.01.065 584, 17 (2005).
16. K. Higuchi, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(99) 00470-3 293, 484 (1999);
17. K. Higuchi, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(01) 01542-0 330, 526 (2002).
18. X.-G. Li, P. Zhang, and C. K. Chan, Physica B 0921-4526 10.1016/j.physb.2006.08.019 390, 225 (2007).
19. V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022 180, 2175 (2009).
20. V. Havu, V. Blum, P. Havu, and M. Scheffler, J. Comput. Phys. 0021-9991 10.1016/j.jcp.2009.08.008 228, 8367 (2009).
21. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
22. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1997).
23. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980);
24. J. P. Perdew and Y. Wang, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
25. F. D. Murnaghan, Proc. Natl. Acad. Sci. (USA) 0027-8424 10.1073/pnas.30.9.244 15, 244 (1944);
26. F. Birch, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.71.809 71, 809 (1947).
27. E. Ziambaras and E. Schröder, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.68.064112 68, 064112 (2003).
28. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1986), 6th ed.
29. D. Errandonea, Y. Meng, D. Häusermann, and T. Uchida, J. Phys.:Condens. Matter 0953-8984 10.1088/0953-8984/15/8/312 15, 1277 (2003);
30. H. Olijnyk, J. Phys.:Condens. Matter 0953-8984 10.1088/0953-8984/16/47/ 030 16, 8791 (2004).
31. M. M. Ozer, C. Z. Wang, Z. Y. Zhang, and H. H. Weitering, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/s10909-009-9905-z 157, 221 (2009).
32. F. L. Hirshfeld, Theor. Chim. Acta 0040-5744 10.1007/BF00549096 44, 129 (1977).
33. M. J. Puska, R. M. Nieminen, and M. Manninen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.24.3037 24, 3037 (1981).
34. J. K. Norskov and F. Besenbacher, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(87)90145-7 130, 475 (1987).
35. Y.-L. Liu, Y. Zhang, H.-B. Zhou, G.-H. Lu, F. Liu, and G.-N. Luo, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.172103 79, 172103 (2009).
36. NIST-JANAF Thermochemical Tables, edited by, M. W. Chase, (American Institute of Physics, New York, 1998), 4th ed.
37. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure (Van Nostrand Reinhold Company, New York, 1979).
38. L. G. Hector, J. F. Herbst, and G. Kresse, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.76.014121 76, 014121 (2007).
39. K. Reuter and M. Scheffler, Phys. Rev. B 1098-0121 10.1103/PhysRevB.65. 035406 65, 035406 (2001).