Effects of iodine and oxygen modification on the adsorption of methanol on the Ag(110) surface - A density-functional theory approach

Acta Chimica Sinica

Volumn 58, Issue 6, 2000, Pages 647-651

  Tang, Hai Rong ^a   Fan, Kang Nian ^a   Deng, Jing Fa ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

Adsorption of methanol; Density functional theory (DFT); Modification; Silver cluster

Indexed keywords

EID: 0041779598     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (32)

1. I. E. Wachs, R. J. Madix, Surf. Sci., 1978, 76, 531.
2. P. A. Kilty, W. M. H. Sachtler, Catal. Rev., 1974, 10, 1.
3. M. A. Bartern, R. J. Madix, Chemical Physics of Solid Surface and Heterogenerous Catalysis, 1982, 4, 139.
4. W. L. Dai, Q. Liu, Y. Cao, J. F. Deng, Appl. Catal. A: General, 1998, 175, 83.
5. Q. Liu, Y. Cao, W. L. Dai, J. F. Deng, Catal. Lett., 1998, 55, 87.
6. B. R. Shen, X. Y. Chen, K. N. Fan, J. F. Deng, Surf. Sci., 1998, 408, 128.
7. I. E. Wachs, R. J. Madix, Appl. Surf. Sci., 1978, 1, 303.
8. (a) W. L. Dai, Y. Cao, J. F. Deng, Catal. Lett., 1999 (in press).
9. (b) DAI Wei-Lin, Ph. D. Thesis, Fudan University, Shanghai, 1997 (in Chinese).
10. SHEN Bai-Rong, WANG Wen-Ning, FAN Kang-Nian, DENG Jing -Fa, Acta Chimica Sinica, 1997, 55, 13 (in Chinese).
11. K. N. Fan, B. R. Shen, W. N. Wang, J. F. Deng, Theochem., 1998, 422, 191.
12. A. Becke, J. Chem. Phys., 1993, 98, 5648.
13. V. Baron, Chem. Phys. Lett., 1995, 233, 129.
14. V. Baron, J. Phys. Chem., 1995, 99, 11659.
15. A. Ricca, C. W. Bauschlicher, Theor. Chim. Acta, 1995, 92, 123.
16. A. Ignaczak, J. A. N. F. Gomes, J. Electroanal. Chem., 1997, 420, 209.
17. C. G. Vayena, S. Bebelis, S. Neophytides, J. Phys. Chem., 1988, 92, 5083.
18. S. Bebelis, C. G. Vayena, J. Catal., 1989, 118, 125.
19. C. G. Vayena, S. Bebelis, S. Ladas, Nature, 1990, 343, 625.
20. C. A. Cavalca, G. Larsen, C. G. Vayena, G. L. Haller, J. Phys. Chem., 1993, 97, 6115.
21. C. G. Vayena, S. Bebelis, I. V. Yentekakis, H. G. Lintz, Catal. Today, 1992, 11 (3), 303.
22. M. L. Mckee, J. Chem. Phys., 1987, 87, 3143.
23. H. Nakatsuji, J. Chem. Phys., 1987, 87, 4995.
24. K. Broomfield, R. M. Lambert, Mol. Phys., 1989, 66, 421.
25. T. S. Lawrence, A. J. Susan, J. Phys. Chem. B, 1998, 102, 2415.
26. (a) P. J. Hay, W. R. Wadt, J. Chem. Phys., 1985, 82, 720.
27. (b) W. R. Wadt, P. J. Hay, J. Chem. Phys., 1985, 82, 284.
28. H. R. Tang, Z. H. Li, W. N. Wang, W. L. Dai, K. N. Fan, J. F. Deng, Surf. Sci., 1999 (submit).
29. M. J. Smithells, "J. Metal Reference Book", 6th Edn., Butterworths, Washington, DC, 1983.
30. (a) W. Heiland, F. Iberl, E. Taglauer, D. Menzel, Surf. Sci., 1975, 53, 383.
31. (b) L. M. Richard, H. P. Jeffrey, Surf. Sci., 1983, 130, L283.
32. J. L. Alves, H. W. L. Alves, C. M. C. DeCastilho, Mat. Sci. Eng. B - Solid, 1996, 37, 139.