Electronic structures of Au on TiO2(110) by first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 23, 2004, Pages

  Okazaki, K ^a   Morikawa, Y ^a   Tanaka, S ^a   Tanaka, K ^a   Kohyama, M ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; OXYGEN; TITANIUM DIOXIDE;

ABSORPTION; ADHESION; ARTICLE; ATOM; CALCULATION; CATALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON TRANSPORT; ENERGY; STOICHIOMETRY;

EID: 42749105617     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.235404     Document Type: Article

References (44)

1. M. Haruta, Catal. Today 36, 153 (1997).
2. T. Kobayashi, M. Haruta, H. Sano, and M. Nakane, Sens. Actuators 13, 339 (1988).
3. S. Lin and M. A. Vannice, Catal. Lett. 10, 47 (1991).
4. S. Lin, M. Bollinger, and M. A. Vannice, Catal. Lett. 17, 245 (1993).
5. T. Hayashi, K. Tanaka, and M. Haruta, J. Catal. 178, 566 (1998).
6. M. Valden, X. Lai, and D. W. Goodman, Science 281, 1647 (1998).
7. M. Valden, S. Pak, X. Lai, and D. W. Goodman, Catal. Lett. 56, 7 (1998).
8. D. R. Rainer and D. W. Goodman, J. Mol. Catal. A: Chem. 131, 259 (1998).
9. X. Lai, T. P. S. Calir, M. Valden, and D. W. Goodman, Prog. Surf. Sci. 59, 25 (1998).
10. S. Ichikawa, T. Akita, M. Okumura, M. Haruta, K. Tanaka, and M. Kohyama, J. Electron Microsc. 52, 21 (2003).
11. S. Ichikawa, K. Okazaki, T. Akita, M. Okukmura, K. Tanaka, and M. Kohyama, in Spatially Resolved Characterization of Local Phenomena in Materials and Nanostructures, edited by D. A. Bonnell, J. Piqueras, A. P. Shreve, and F. Zypman, MRS Symposia Proceedings No. 738 (Materials Research Society, Pittsburgh, 2003), p. 257.
12. K. Tanaka, T. Hayashi, and M. Haruta, in Interface Science and Materials Interconnection, edited by Y. Ishida, M. Morita, T. Suga, H. Ichinose, O. Ohashi, and J. Echigoya (The Japan Institute of Metals, 1996), p. 547.
13. L. Zhang, R. Persaud, and T. E. Madey, Phys. Rev. B 56, 10 549 (1997).
14. L. Thiên-Nga and A. T. Paxton, Phys. Rev. B 58, 13 233 (1998).
15. Z. Yang, R. Wu, and D. W. Goodman, Phys. Rev. B 61, 14 066 (2000).
16. C. E. J. Mitchell, A. Howard, M. Carney, and R. G. Egdell, Surf. Sci. 490, 196 (2001).
17. N. Lopez and J. K. Nørskov, Surf. Sci. 515, 175 (2002).
18. T. Akita, K. Tanaka, S. Tsubota, and M. Haruta, J. Electron Microsc. 49, 657 (2000).
19. G. Charlton et al., Phys. Rev. Lett. 78, 495 (1997).
20. M. Ramamoorthy, D. Vanderbilt, and R. D. King-Smith, Phys. Rev. B 49, 16 721 (1994).
21. S. P. Bates, G. Kresse, and M. J. Gillan, Surf. Sci. 385, 386 (1997).
22. E. Wahlsröm, N. Lopez, R. Schaub, P. Thostrup, A. Ronnau, C. Afirch, E. Lægsgaard, J. K. Nørskov, and F. Besenbacher, Phys. Rev. Lett. 90, 026101 (2003).
23. A. Vijay, G. Mills, and H. Metiu, J. Chem. Phys. 118, 6536 (2003).
24. Y. Wang and G. S. Hwang, Surf. Sci. 542, 72 (2003).
25. A. Vittadini and A. Selloni, J. Chem. Phys. 117, 353 (2002).
26. K. Okazaki, Y. Morikawa, S. Tanaka, S. Ichikawa, K. Tanaka, and M. Kohyama, in Spatially Resolved Cgaracterization of Local Phenomena in Materials and Nanostructures, edited by D. A. Bonnell, J. Piqueras, A. P. Shreve, and F. Zypman, MRS Symposia Proceedings No. 738 (Materials Research Society, Pittsburgh, 2003), p. 363.
27. S. H. Ke, T. Uda, and K. Terakura, Appl. Surf. Sci. 188, 319 (2002).
28. T. Hayashi, Y. Morikawa, and H. Nozoye, J. Chem. Phys. 1144, 7615 (2001).
29. Y. Morikawa, T. Hayashi, C. C. Liew, and H. Nozoe, Surf. Sci. 507-510, 46 (2002).
30. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
31. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
32. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
33. D. D. Koelling and B. N. Harmon, J. Phys. C 10, 3107 (1977).
34. T. Suzumura, T. Nakajima, and K. Hirao, Int. J. Quantum Chem. 75, 757 (1999).
35. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
36. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
37. D. M. Wood and A. Zunger, J. Phys. A 18, 1343 (1985).
38. S. Blügel, Ph.D. thesis (Tech. Univ., Aachen, 1988).
39. P. Csaszar and P. Pulay, J. Mol. Struct. 114, 31 (1984).
40. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989).
41. R. Benedek, M. Mincoff, and L. H. Yang, Phys. Rev. B 54, 7697 (1996).
42. W. Zhang and J. R. Smith, Phys. Rev. Lett. 85, 3225 (2000).
43. B. Liang and L. Andrews, J. Phys. Chem. A 104, 9156 (2000).
44. L. M. Molina and B. Hammer, Phys. Rev. Lett. 90, 206102 (2003).