Influences of Al doping on the electronic structure of Mg(0001) and dissociation properties of H2

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 374, Issue 7, 2010, Pages 975-980

  Li, Yanfang ^a,b   Yang, Yu ^b   Wei, Yinghui ^a   Zhang, Ping ^b  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

Author keywords

Al doping; Dissociation; Electronic structure; Hydrogen

Indexed keywords

ATOMS; CORROSION RESISTANCE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; ENERGY BARRIERS; HYDROGEN; MOLECULES;

AL-DOPING; DENSITY FUNCTIONAL THEORY METHODS; DISSOCIATION ENERGIES; DOPING LAYERS; ELECTRONIC CHANGES; MG(0001) SURFACES; POSSIBLE MECHANISMS; TOP SURFACE;

ALUMINUM CORROSION;

EID: 73749083357     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2009.12.011     Document Type: Article

References (37)

1. Fritzsche H., Saoudi M., Haagsma J., Ophus C., Luber E., Harrower C.T., and Mitlin D. Appl. Phys. Lett. 92 (2008) 121917
2. Grochala W., and Edwards P.P. Chem. Rev. 104 (2004) 1283
3. Nørskov J.K., Houmøller A., Johansson P.K., and Lundqvist B.I. Phys. Rev. Lett. 46 (1981) 257
4. Sprunger P.T., and Plummer E.W. Chem. Phys. Lett. 187 (1991) 559
5. Bird D.M., Clarke L.J., Payne M.C., and Stich I. Chem. Phys. Lett. 212 (1993) 518
6. Vegge T. Phys. Rev. B 70 (2004) 035412
7. Du A.J., Smith S.C., Yao X.D., and Lu G.Q. J. Phys. Chem. B 109 (2005) 18037
8. Johansson M., Ostenfeld C.W., and Chorkendorff I. Phys. Rev. B 74 (2006) 193408
9. Wu G.X., Zhang J.Y., Wu Y.Q., Li Q., Zhou G.Z., and Bao X.H. Acta Phys. Chim. Sin. 24 (2008) 55
10. Pozzo M., and Alfè D. Phys. Rev. B 78 (2008) 245313
11. Pozzo M., and Alfè D. J. Phys.: Condens. Matter 21 (2009) 095004
12. Pozzo M., Alfè D., Amieiro A., French S., and Pratt A. J. Chem. Phys. 128 (2008) 094703
13. Du A.J., Smith S.C., Yao X.D., and Lu G.Q. J. Phys. Chem. B 110 (2006) 21747
14. Du A.J., Smith S.C., Yao X.D., and Lu G.Q. J. Am. Chem. Soc. 129 (2007) 10201
15. Pozzo M., and Alfè D. Int. J. Hydrogen Energy 34 (2009) 1922
16. Fritzsche H., Ophus C., Harrower C.T., Luber E., and Mitlin D. Appl. Phys. Lett. 94 (2009) 241901
17. Kainer K.U. Magnesium Alloys and Their Applications (2000), Wiley-VCH Verlag GmbH, New York
18. Qian M., Li D., and Jin C. Sci. Technol. Adv. Mater. 9 (2008) 025002
19. Galun R., Weisheit A., and Mordike B.L. J. Laser Appl. 8 (1996) 299
20. Gray J.E., and Luan B. J. Alloys Compound 336 (2002) 88
21. Cramer S.D., and Covino Jr. B.S. ASM Handbook, vol. 13A. Corrosion: Fundamentals, Testing, and Protection (2003), ASM International
22. Li Y.F., Zhang P., Sun B., Yang Y., and Wei Y.H. J. Chem. Phys. 131 (2009) 034706
23. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169 and references therein
24. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
25. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
26. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
27. Weinert M., and Davenport J.W. Phys. Rev. B 45 (1992) 13709
28. Amonenko V., Ivanov V.Y., Tikhinskij G., and Finkel V. Phys. Met. Metallogr. 14 (1962) 47
29. Ashcroft N.W., and Mermin N.D. Solid State Physics (1976), Saunders, Philadelphia
30. Huber K.P., and Herzberg G. Constants of Diatomic Molecules (1979), Van Nostrand, New York
31. Staikov P., and Rahman T.S. Phys. Rev. B 60 (1999) 15613
32. Wachowicz E., and Kiejna A. J. Phys.: Condens. Matter 13 (2001) 10767
33. Rotenberg E., Schaefer J., and Kevan S.D. Phys. Rev. Lett. 84 (2000) 2925
34. Sanville E., Kenny S.D., Smith R., and Henkelman G. J. Comp. Chem. 28 (2007) 899
35. Zhang P., Sun B., and Yang Y. Phys. Rev. B 79 (2009) 165416
36. Harris J., and Anderson S. Phys. Rev. Lett. 55 (1985) 1583
37. Hammer B., Jacobsen K.W., and Nørskov J.K. Surf. Sci. 297 (1993) L68