First-principles study of the adsorption energy and work function of oxygen adsorption on Ni(111) surface

Wuli Xuebao/Acta Physica Sinica

Volumn 58, Issue 3, 2009, Pages 1924-1930

  Xu, Gui Gui ^a   Wu, Qing Yun ^a   Zhang, Jian Min ^a   Chen, Zhi Gao ^a   Huang, Zhi Gao ^a  

^a FUJIAN NORMAL UNIVERSITY   (China)

Author keywords

Adsorption energy; Density functional theory; Surface adsorption; Work function

Indexed keywords

EID: 65249157129     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (24)

1. Wang S J, Ong C K 2002 Appl. Phys. Lett. 80 2541
2. Yang X N, Wang H, Zhang Y, Yao W F, Shang S X, Zhou J T, Liu Y H 2004 J. Syn. Cryst. 33 731 (in Chinese)
3. Dong Y F, Wang S J, Chai J W, Feng Y P, Huan A C H 2005 Appl. Phys. Lett. 86 132103
4. Alshareef H N, Choi K, Wen H C, Luan H, Harris H, Senzaki Y, Majhi P, Lee B H, Jammy R, Aguirre-Tostado S, Gnade B E, Wallace R M 2006 Appl. Phys. Lett. 88 072108
5. De I, Johri D, Srivastava A, Osburn C M 2000 Solid-State Electron. 44 1077
6. Lim D, Haight R, Copel M, Cartier E 2005 Appl. Phys. Lett. 87 072902
7. Liang Y, Curless J, Tracy C J, Gilmer D C, Schaeffer J K, Triyoso D H, Tobin P J 2006 Appl. Phys. Lett. 88 072907
8. Dong Y F, Feng Y P, Wang S J, Huan A C H 2005 Phys. Rev. B 72 045327
9. Lee R N, Farnsworth H E 1965 Surf. Sci. 3 461
10. Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
11. Blöchl P E 1994 Phys. Rev. B 50 17953
12. Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
13. Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
14. Jorritsma J, Mydosh J A 1998 J. Appl. Phys. 84 901
15. Payne M C, Teter M P, Allan D C, Arias T A, Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
16. Zhao X X, Tao X M, Chen W B, Chen X, Shang X F, Tan M Q 2006 Acta Phys. Sin. 55 3629 (in Chinese)
17. Park S, Colombo L, Nishi Y, Cho K 2005 Appl. Phys. Lett. 86 073118
18. Cai J Q, Tao X M, Tan M Q 2007 Acta phys.-Chim. Sin. 23 355 (in Chinese)
19. Zeng Z H, Deng H Q, Li W X, Hu W Y 2006 Acta Phys. Sin. 55 3157 (in Chinese)
20. Li W X, Stampfl C, Scheffler M 2002 Phys. Rev. B 65 075407
21. Xu Y, Mavrikakis M 2001 Surf. Sci. 494 131
22. Lynch M, Hu P 2000 Surf. Sci. 458 1
23. Xu Y L, Yan X L, Jia Y M, Luo J H, Cao Q X 1995 Instroduction to Material Physics (Chengdu: University of Electronic Science and Technology of China) p20-62 (in Chinese)
24. Todorova M, Reuter K, Scheffler M 2004 J. Phys. Chem. B 108 14477