Reaction channels for the catalytic oxidation of CO on Pt(111)

Surface Science

Volumn 433, Issue , 1999, Pages 58-62

  Eichler, A ^a   Hafner, J ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON DIOXIDE; CARBON MONOXIDE; COMPUTER SIMULATION; MOLECULES; PLATINUM; SPECTROSCOPY; SURFACE PHENOMENA;

CATALYTIC OXIDATION; LOCAL DENSITY CALCULATIONS; MOLECULAR OXYGEN; NUDGED ELASTIC BAND METHOD; THERMAL DESORPTION SPECTROSCOPY; TRANSITION STATES; VIENNA AB INITIO SIMULATION PACKAGE;

OXIDATION;

EID: 0033333864     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00061-8     Document Type: Article

References (35)

1. C.T. Campbell, G. Ertl, H. Kuipers, J. Segner, J. Chem. Phys. 73 (1980) 5862.
2. J.L. Gland, E.B. Kollin, J. Chem. Phys. 78 (1983) 963.
3. T. Matsushima, Surf. Sci. 127 (1983) 403.
4. D.W.J. Kwong, N. de Leon, G.L. Haller, Chem. Phys. Lett. 144 (1988) 533.
5. W.D. Mieher, W. Ho, J. Chem. Phys. 91 (1989) 2755.
6. H.-P. Kaukonen, R.M. Nieminen, J. Chem. Phys. 91 (1989) 4380.
7. C.T. Rettner, C.B. Mullins, J. Chem. Phys. 94 (1991) 1626.
8. G.W. Coulston, G.L. Haller, J. Chem. Phys. 95 (1991) 6932.
9. W.D. Mieher, W. Ho, J. Chem. Phys. 99 (1993) 9279.
10. K.-H. Allers, H. Pfnür, P. Feulner, D. Menzel, J. Chem. Phys. 100 (1994) 3985.
11. J. Yoshinubo, M. Kawai, J. Chem. Phys. 103 (1995) 3220.
12. C. Åkerlund, I. Zoric, B. Kasemo, J. Chem. Phys. 104 (1996) 7359.
13. C.E. Tripa, Ch.R. Arumaninayagam, J.T. Yates Jr., J. Chem. Phys. 105 (1996) 1691.
14. Y.Y. Yeo, L. Vattuone, D.A. King, J. Chem. Phys. 106 (1997) 392.
15. R.J. Finlay, T.-H. Her, C. Wu, E. Mazur, Chem. Phys. Lett. 274 (1997) 499.
16. C. Stampfl, M. Scheffler, J. Vac. Sci. Technol. A 15 (1997) 1635.
17. A. Alavi, P. Hu, Th. Deutsch, P.L. Silvestrelli, J. Hutter, Phys. Rev. Lett. 80 (1998) 3650.
18. A. Eichler, J. Hafner, Phys. Rev. Lett. 79 (1997) 4481.
19. B.C. Stipe, M.A. Rezaei, W. Ho, S. Gao, M. Persson, B.I. Lundqvist, Phys. Rev. Lett. 78 (1997) 4410.
20. H. Steininger, S. Lehwald, H. Ihbach, Surf. Sci. 17 (1982) 342.
21. N.R. Avery, Chem. Phys. Lett. 96 (1983) 371.
22. G. Kresse, J. Hafner, Phys. Rev. B 47 (1993) C558.
23. G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11169.
24. G. Kresse, J. Furthmüller, Comput. Mater. Sci. 6 (1996) 15.
25. D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
26. G. Kresse, J. Hafner, J. Phys.: Condens. Matter 6 (1996) 8245.
27. J.P. Perdew, A. Zunger, Phys. Rev. B 23 (1981) 5048.
28. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
29. A. Eichler, J. Hafner, J. Chem. Phys., in press.
30. A. Eichler, J. Hafner, Phys. Rev. B 57 (1998) 10110.
31. M. Methfessel, A. Paxton, Phys. Rev. B 40 (1989) 3616.
32. G. Mills, H. Jónsson, G.K. Schenter, Surf. Sci. 324 (1995) 305.
33. J.L. Gland, B.A. Sexton, G.B. Fisher, Surf. Sci. 95 (1980) 587.
34. A. Eichler, J. Hafner, Phys. Rev. B, submitted for publication.
35. J. Wintterlin, S. Völkening, T.V.W. Janssens, T. Zambelli, G. Ertl, Science 278 (1997) 1931.