Adsorption of CO on Pd(100): Steering into less favored adsorption sites

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 16, 1998, Pages 10110-10114

  Eichler, A ^a   Hafner, J ^a  

^a CENTER FOR COMPUTATIONAL MATERIALS SCIENCE   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000389296     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.10110     Document Type: Article

References (35)

1. G. R. Darling and S. Holloway, Rep. Prog. Phys. 58, 1595 (1995).
2. U. Heinzmann, S. Holloway, A. W. Klein, R. E. Palmer, and K. J. Snowdon, J. Phys.: Condens. Matter 8, 3245 (1996).
3. B. Hammer and J.K. Nørskov, in Chemisorption and Reactivity on Supported Clusters and Thin Films (Kluwer, Dordrecht, 1997), p. 285.
4. G. Somorjai, Introduction to Surface Chemistry and Catalysis (Wiley, New York, 1994).
5. A. Gross, S. Wilke, and M. Scheffler, Phys. Rev. Lett. 75, 2718 (1995).
6. S. Wilke and M. Scheffler, Phys. Rev. B 53, 4926 (1996).
7. A. Eichler, G. Kresse, and J. Hafner, Phys. Rev. Lett. 77, 1119 (1996).
8. P. A. Gravil, D. M. Bird, and J. A. White, Phys. Rev. Lett. 77, 3933 (1996).
9. A. Eichler and J. Hafner, Phys. Rev. Lett. 79, 4481 (1997).
10. A. M. Bradshaw and F. M. Hoffmann, Surf. Sci. 72, 513 (1978).
11. F. M. Hoffmann, Surf. Sci. Rep. 3, 107 (1983).
12. R. J. Behm, K. Christmann, G. Ertl, M. A. van Hove, P. A. Thiel, and W. H. Weinberg, Surf. Sci. Lett. 88, L59 (1979).
13. R. J. Behm, K. Christmann, G. Ertl, and M. A. van Hove, J. Chem. Phys. 73, 2984 (1980).
14. P. Uvdal, P.-A. Karlsson, C. Nyberg, S. Andersson, and N. V. Richardson, Surf. Sci. 202, 167 (1988).
15. K. Yoshioka, F. Kitamura, M. Takeda, M. Takahashi, and M. Ito, Surf. Sci. 227, 90 (1990).
16. W. Berndt and A. M. Bradshaw, Surf. Sci. Lett. 279, L165 (1992).
17. P. S. Bagus and G. Pacchioni, Surf. Sci. 236, 233 (1990).
18. P. S. BagusG. PacchioniJ. Chem. Phys. 93, 1209 (1990).
19. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
20. Phys. Rev. BG. KresseJ. Hafner49, 14 251 (1994).
21. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
22. G. KresseJ. FurthmüllerComput. Mater. Sci. 6, 15 (1996).
23. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
24. G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1996).
25. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
26. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pedersen, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
27. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989).
28. A. Nilsson, M. Weinelt, T. Wiell, P. Bennich, O. Karis, N. Wassdahl, J. Stöhr, and M. G. Samant, Phys. Rev. Lett. 78, 2847 (1997).
29. G. Blyholder, J. Phys. Chem. 68, 2772 (1964).
30. A. Sandell, O. Björneholm, J. N. Andersen, A. Nilsson, E. O. F. Zdansky, B. Hernäss, U. O. Karlsson, R. Nyholm, and N. Mårtensson, J. Phys.: Condens. Matter 6, 10 659 (1994).
31. D. Lj. Vučković, S. A. Jansen, and R. Hoffmann, Langmuir 6, 732 (1990).
32. G. Mills, H. Jónsson, and G. K. Schenter, Surf. Sci. 324, 305 (1995).
33. P. Hu, D. A. King, S. Crampin, M.-H. Lee, and M. C. Payne, J. Chem. Phys. 107, 8103 (1997).
34. A. Eichler and J. Hafner (unpublished).
35. A. Baraldi, L. Gregoratti, G. Comelli, V. R. Dhanak, M. Kiskinova, and R. Rosei, Appl. Surf. Sci. 99, 1 (1996).