Coverage-dependent adsorption of CH3S and (CH3S)2 on Au(111): A density functional theory study

Journal of Physical Chemistry B

Volumn 105, Issue 39, 2001, Pages 9509-9513

  Vargas, Maria Cristina ^a,b   Giannozzi, Paolo ^a,c   Selloni, Annabella ^a   Scoles, Giacinto ^a  

^a PRINCETON UNIVERSITY   (United States)

^b DEPARTAMENTO DE FÍSICA APLICADA   (Mexico)

^c SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES;

CHEMICAL RELAXATION; DIMERS; DISSOCIATION; GOLD; MONOLAYERS; MONOMERS; PROBABILITY DENSITY FUNCTION;

ADSORPTION;

EID: 0035807628     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012241e     Document Type: Article

References (37)

1. Ulman, A. Chem. Rev. 1996, 96, 1533.
2. Biebuyck, H.A.; Bain, C.D.; Whitesides, G.M. Langmuir 1994, 10, 1825.
3. Nuzzo, R.G.; Zegarski, B.R.; Dubois, L.H. J. Am. Chem. Soc. 1987, 109, 733.
4. Camillone, N.; Chidsey, C.E.D.; Liu, G.-y; Scoles, G. J. Chem. Phys. 1993, 98, 3503.
5. Fenter, P.; Eisenberger, P.; Liang, K.S. Phys. Rev. Lett. 1993, 70, 2447.
6. Fenter, P.; Schreiber, F.; Berman, L.; Scoles, G.; Eisenberger, P.; Bedzyk, M.J. Surf. Sci. 1998, 412/413, 213.
7. Fenter, P.; Eberhardt, A.; Eisenberger, P. Science 1994, 266, 1216.
8. Yeganeh, M.S.; Dougal, S.M.; Polizzotti, R.S.; Rabinowitz, P. Phys. Rev. Lett. 1995, 74, 1811.
9. Poirier, G.E. Chem. Rev. 1997, 97, 1117.
10. Barrena, A.; Ocal, C.; salmeron, M. J. Chem. Phys. 1999, 111, 9797.
11. Kluth, G.J.; Carraro, C.; Maboudian, R. Phys. Rev. B 1999, 59, R10449.
12. Sellers, H.; Ulman, A.; Shnidman, Y.; Eilers, J.E. J. Am. Chem. Soc. 1993, 115, 9389.
13. Sellers, H. Surf. Sci. 1993, 294, 99.
14. Beardmore, K.M.; Kress, J.D.; Gronbech-Jensen, N.; Bishop, A. R. Chem. Phys. Lett. 1998, 286, 40.
15. Häkkinen, H.; Barnett, R.N.; Landman, U. Phys. Rev. Lett. 1999, 82, 3264.
16. Hayashi, T.; Morikawa, Y.; Nozoye, H. J. Chem. Phys. 2001, 114, 7615.
17. Grönbeck, H.; Curioni, A.; Andreoni, W. J. Am Chem. Soc. 2000, 122, 3839.
18. Yourdshahyan, Y.; Zhang, H.K.; Rappe, A.M. Phys. Rev. B 2001, 63, 081405(R).
19. Krüger, D.; Fuchs, H.; Rousseau, R.; Marx, D.; Parrinello, M. Unpublished work.
20. Perdew, J.P.; Chevary, J.A.; Vosko, S.H.; Jackson, K.A.; Singh, D.J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
21. Scheffler, M.; Stampfl, C. Theory of Adsorption on Metal Surfaces. In Handbook of Surface Science; Horn, K., Scheffler, M., Eds.; Elsevier: Amsterdam, 1999; Vol. 2.
22. Lavrich, D.J.; Wetterer, S.M.; Bernasek, S.L.; Scoles, G. J. Phys. Chem. B 1998, 102, 3456.
23. Perdew, J.P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
24. Becke, A.D. Phys. Rev. A 1988, 38, 3098; Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
25. Becke, A.D. Phys. Rev. A 1988, 38, 3098; Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785.
26. Kurth, S.; Perdew, J.P.; Blaha, P. Int. J. Quantum Chem. 1999, 75, 889.
27. Sandy, A.R.; Mochrie, S.G.; Zehner, D.M.; Huang, K.G.; Gibbs, D. Phys. Rev. B 1991, 43, 4667.
28. We verified that the results do not significantly change when the number of layers in the slab is increased from four to seven.
29. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
30. Troullier, N.; Martins, J.L. Phys. Rev. B 1992, 46, 1754.
31. Cosandey, F.; Madey, T.E. Surf. Rev. Lett. 2001, 8, 73.
32. Yan, Z.; Perdew, J.P.; Kurth, S.; Fiolhais, C.; Almeida, L. Phys. Rev. B 2000, 61, 2595.
33. Carling, K.; Wahnström, G.; Mattsson. T.R.; Mattsson, A.E.; Sandberg, N.; Grimvall, G. Phys. Rev. Lett. 2000, 85, 3862.
34. Nicovic, J.M.; Kreutter, K.D.; van Dijk, C.A.; Wine, P.H. J. Phys. Chem. 1992, 96, 2518.
35. Casalis, L.; Danisman, F.; Bracco, G.; Scoles, G. Unpublished results.
36. Dubois, L.H.; Zegarski, B.R.; Nuzzo, R.G., J. Chem. Phys. 1992, 98, 678.
37. Kang, J.; Rowntree, P.A. Langmuir 1996, 12, 2813.