Atomistic potential for adsorbate/surface systems: CO on Pt

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 23, 2002, Pages 2354091-23540911

  Van Beurden, P ^a   Verhoeven, H G J ^a   Kramer, G J ^a   Thijsse, B J ^b  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; PLATINUM;

ADSORPTION; ARTICLE; ATOM; DATA ANALYSIS; DIFFUSION; MOLECULAR INTERACTION; SURFACE PROPERTY; THEORY;

EID: 0037115973     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (53)

1. M. I. Baskes, Phys. Rev. B 46, 2727 (1992).
2. M. I. Baskes, Modell. Simul. Mater. Sci. Eng. 5, 149 (1997).
3. M. I. Baskes, Mater. Chem. Phys. 50, 152 (1997).
4. K. Takahashi, C. Nara, T. Yamaghishi, and T. Onzawa, Appl. Surf. Sci. 151, 299 (1999).
5. T. Yamaghishi, K. Takahashi, and T. Onzawa, Surf. Sci. 445, 18 (2000).
6. P. van Beurden and G. J. Kramer, Phys. Rev. B 63, 165106 (2001).
7. M. I. Baskes and R. A. Johnson, Modell. Simul. Mater. Sci. Eng. 2, 147 (1994).
8. G. Ertl, Adv. Catal. 37, 211 (1990).
9. R. Imbihl and G. Ertl, Chem. Rev. 95, 697 (1995).
10. R. J. Gelten, A. P. J. Jansen, R. A. van Santen, J. J. Lukkien, J. P. L. Segers, and P. A. J. Hilbers, J. Chem. Phys. 108, 5921 (1998).
11. P. Thostrup, E. Christoffersen, H. T. Lorensen, K. W. Jacobsen, F. Besenbacher, and J. K. Nørskov, Phys. Rev. Lett. 87, 126 102 (2001).
12. W. Hösler, E. Ritter, and R. J. Behm, Ber. Bunsenges. Phys. Chem. 90, 205 (1986).
13. E. Ritter, R. J. Behm, G. Pötschke, and J. Wintterlin, Surf. Sci. 181, 403 (1987).
14. A. Borg, A.-M. Hilmen, and E. Bergene, Surf. Sci. 306, 10 (1994).
15. A. Hopkinson, X.-C. Guo, J. M. Bradley, and D. A. King, J. Chem. Phys. 99, 8262 (1993).
16. K.-D. Shiang and T. T. Tsong, Phys. Rev. B 49, 7670 (1994).
17. M. I. Haftel, M. Rosen, T. Franklin, and M. Hettermann, Phys. Rev. B 53, 8007 (1996).
18. V. S. Stepanyuk, D. I. Bazhanov, W. Hergert, and J. Kirschner, Phys. Rev. B 63, 153 406 (2001).
19. F. Ercolessi, M. Parrinello, and E. Tosatti, Surf. Sci. 177, 314 (1986).
20. Y. Y. Yeo, L. Vattuone, and D. A. King, J. Chem. Phys. 106, 392 (1997).
21. G. Ertl, M. Neuman, and K. M. Streit, Surf. Sci. 64, 393 (1977).
22. Y. Y. Yeo, L. Vattuone, and D. A. King, J. Chem. Phys. 104, 3810 (1996).
23. E. Schweizer, B. N. J. Persson, M. Tüshaus, D. Hoge, and A. M. Bradshaw, Surf. Sci. 213, 49 (1989).
24. R. Martin, P. Gardner, and A. M. Bradshaw, Surf. Sci. 342, 69 (1995).
25. W. A. Brown, R. Kose, and D. A. King, Chem. Rev. 98, 797 (1998).
26. P. J. Feibelman, B. Hammer, J. K. Nørskov, F. Wagner, M. Scheffler, R. Stumpf, R. Watwe, and J. Dumesic, J. Phys. Chem. 105, 4018 (2001).
27. R. Brako and D. Šokčević, Surf. Sci. 469, 185 (2000).
28. B. N. J. Persson, M. Tüshaus, and A. M. Bradshaw, J. Chem. Phys. 92, 5034 (1990).
29. E. Shustorovich, Surf. Sci. Rep. 6, 1 (1986).
30. J. H. Rose, J. R. Smith, F. Guinea, and J. Ferrante, Phys. Rev. B 29, 2963 (1984).
31. Y. Kraftmakher, Phys. Rep. 299, 79 (1998).
32. R. A. Johnson, Phys. Rev. B 39, 12 554 (1989).
33. M. T. M. Koper, R. A. van Santen, S. A. Wasileski, and M. J. Weaver, J. Chem. Phys. 113, 4392 (2000).
34. A. Eichler, Surf. Sci. 498, 314 (2002).
35. S. A. Wasileski, M. T. M. Koper, and M. J. Weaver, J. Phys. Chem. B 105, 3518 (2001).
36. M. T. M. Koper, T. E. Shubina, and R. A. van Santen, J. Phys. Chem. B 106, 686 (2002).
37. G.1 Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
38. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
39. B. J. Thijsse, computer code CAMELION (Delft University of Technology, Delft, 2001).
40. P. van Beurden, B. S. Bunnik, G. J. Kramer, and A. Borg, Phys. Rev. Lett. (to be published).
41. J. Ma, X. Xiao, N. J. DiNardo, and M. M. T. Loy, Phys. Rev. B 58, 4977 (1998).
42. Q. Ge and D. A. King, J. Chem. Phys. 111, 9461 (1999).
43. E. G. Seebauer and C. E. Allen, Prog. Surf. Sci. 49, 265 (1995).
44. J. E. Reutt-Robey, D. J. Doren, Y. J. Chabal, and S. B. Christman, J. Chem. Phys. 93, 9113 (1990).
45. V. J. Kwasniewski and L. D. Schmidt, Surf. Sci. 274, 329 (1992).
46. P. R. Norton, J. A. Davies, D. K. Creber, C. W. Sitter, and T. E. Jackman, Surf. Sci. 108, 205 (1981).
47. P. A. Thiel, R. J. Behm, P. R. Norton, and G. Ertl, Surf. Sci. 121, L553 (1982).
48. R. J. Behm, P. A. Thiel, P. R. Norton, and G. Ertl, J. Chem. Phys. 78, 7437 (1983).
49. V. N. Kuzovkov, O. Kortlüke, and W. von Niessen, J. Chem. Phys. 108, 5571 (1998).
50. V. P. Zhdanov, J. Chem. Phys. 110, 8748 (1999).
51. F. F. Chávez, L. Vicente, A. Perera, and M. Moreau, J. Chem. Phys. 112, 8672 (2000).
52. E. I. Latkin, V. I. Elokhin, and V. V. Gorodetskii, J. Mol. Catal. A: Chem. 166, 23 (2001).
53. J. A. Davies, T. E. Jackman, D. P. Jackson, and P. R. Norton, Surf. Sci. 109, 20 (1981).