Surface deformations induced by CH3S adsorption on Au(111) and Cu(111): A DFT study

Revista Mexicana de Fisica

Volumn 50, Issue 5, 2004, Pages 536-540

  Vargas, M C ^a   Selloni, A ^b  

^a DEPARTAMENTO DE FÍSICA APLICADA   (Mexico)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

Adsorbates on surfaces; Chemisorption physisorption; Density functional calculations; Organic self assembled monolayers; Total energy and cohesive energy calculations

Indexed keywords

EID: 10344265571     PISSN: 0035001X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (31)

1. M.C. Vargas, P. Giannozzi, A. Selloni, and G. Scoles, J. Phys. Chem. 105 (2001) 9502.
2. C. Joachim, J.K. Gmzewski, and A. Aviram, Nature (London 408 (2000) 541.
3. A. Ulman Chem. Rev. 96 (1996) 1533.
4. F. Schreiber, Prog. Surf. Sci. 65 (2000) 151.
5. R.G. Nuzzo, B.R. Zegarski, arid L.H. Dubois, J. Am. Chem. Soc. 109 (1987) 733.
6. H. Sellers, A. Ulman, Y. Shnidman, and J. E. Eilers, J. Am. Chem. Soc. 115 (1993) 9389.
7. H. Sellers, Surf. Sci. 294 (1993) 99.
8. M.H. Dishner, J.C. Hemminger, and F.J. Feher, Langmuir 13 (1997) 2322.
9. K.M. Beardmore, J.D. Kress, N. Grönbech-Jensen, and A.R. Bishop, Chem. Phys. Let 286 (1998) 40.
10. H. Kondoh and H. Nozoye, J. Phys. Chem. B 103 (1999) 2585.
11. H. Grönbeck, A. Curioni, and W. Andreoni, J. Am Chem. Soc. 122 (2000) 3839.
12. T. Hayashi, Y. Morikawa and H. Nozoye, J. Chem. Phys. 114 (2001) 7615.
13. Y. Morikawa, T. Hayashi, C.C. Liew, and H. Nozoye, Surf. Sci. 507-510 (2002) 46.
14. Y. Morikawa, C.C. Liew, and H. Nozoye, Surf. Sci. 514 (2002) 389.
15. Y. Yourdshahyan and A.M. Rappe, J. Chem. Phys. 117 (2002) 825.
16. L.M. Molina and B. Hammer, Chem. Phys. Lett. 360 (2002) 264.
17. V. De Renzi, R. Di Felice, D. Marchetto, R. Biagi, U. del Pennino, and A. Selloni, J. Phys. Chem. 108 (2004) 16.
18. A. Imanishi, K. Isawa, F. Matsui, T. Tsuduki, T. Yokoyama, H. Kondoh, Y. Kitajima, T. Ohta, Surf. Sci. 407 (1998) 282.
19. M.S. Kariapper, G.F. Grom, G.J. Jackson, C.F. McConville and D.P. Woodruff, J. Phys.: Condens. Matter 10 (1998) 8661.
20. G.J. Jackson, D.P. Woodruff, R.G. Jones, N.K. Singh, A.S.Y. Chan, B.C.C. Cowie, and V. Formoso, Phys. Rev. Let. 84 (2000) 119.
21. S.M. Driver and D.P. Woodruff, Surf. Sci. 457 (2000) 11.
22. Y. Akinaga, T. Nakahima, and K. Hirao, J. Chem. Phys. 114 (2001) 8555.
23. A. Ferral, P. Paredes-Olivera, V.A. Macagno and E.M. Patrito, Surf. Sci. bf 525 (2003) 85.
24. N.P. Prince, D.L. Seymour, D.P. Woodruff, R.G. Jones and W. Walter, Surf. Sci. 215 (1989) 566.
25. I.L. Garzón, C. Rovira, K. Michaelian, M.R. Beltrán, P. Ordejón, J. Junquera, D. Sánchez-Portal, E. Artacho, and J.M. Soler, Phys. Rev. Lett. 85 (2000) 5250.
26. We have used the code PWSCF by S. Baroni, S. de Gironcoli, A.D. Corso, and P. Giannozzi; http://www.pwscf.org
27. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, D.J. Singh, and C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
28. M. Scheffler and C. Stampfl, Theory of adsorption on metal surfaces, in: Handbook of Surface Science, Vol. 2, edited by K. Horn and M. Scheffler, Elsevier, Amsterdam, 1999.
29. A.R. Sandy, S.G. Mochrie, D.M. Zehner, K.G. Huang, D. Gibbs, Phys. Rev. B 43 (1991) 4667.
30. D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
31. N. Troullier, J.L. Martins, J.L. Phys. Rev. B 46 (1992) 1754.