Strong and weak adsorption of CO on CeO 2 surfaces from first principles calculations

Chemical Physics Letters

Volumn 396, Issue 4-6, 2004, Pages 384-392

  Yang, Zongxian ^a   Woo, Tom K ^a   Hermansson, Kersti ^b  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; CERIUM;

ADSORPTION; ARTICLE; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRICITY; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; SURFACE PROPERTY;

EID: 4544334753     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.08.078     Document Type: Article

References (35)

1. A. Trovarelli Catal. Rev. Sci. Eng. 38 1996 439
2. J. Kaspar, P. Fornasiero, and M. Graziani Catal. Today 50 1999 285
3. C. Li, Y. Sakata, T. Arai, K. Domen, K. Maruya, and T. Onishi J. Chem. Soc., Faraday Trans. 1: Phys. Chem. Cond. Phas. 85 1989 929
4. C. Li, Y. Sakata, T. Arai, K. Domen, K. Maruya, and T. Onishi J. Chem. Soc., Faraday Trans. 1: Phys. Chem. Conden. Phase 85 1989 1451
5. D.R. Mullins, and S.H. Overbury J. Catal. 188 1999 340
6. F. Bozon-Verduraz, and A. Bensalem J. Chem. Soc., Faraday Trans. 90 1994 653
7. C. Binet, A. Badri, M. Boutonnet-Kizling, and J.C. Lavalley J. Chem. Soc., Faraday Trans. 90 1994 1023
8. Y. Madier, C. Descorme, A.M. Le Govic, and D. Duprez J. Phys. Chem. B 103 1999 10999
9. U. Berner, K. Schierbaum, G. Jones, P. Wincott, S. Haq, and G. Thornton Surf. Sci. 467 2000 201
10. A. Bensalem, F. Bozon-Verduraz, M. Delamar, and G. Bugli Appl. Catal. A-Gen. 121 1995 81
11. M.F. Wilkes, P. Hayden, and A.K. Bhattacharya J. Catal. 219 2003 295
12. R. Soave, and G. Pacchioni Chem. Phys. Lett. 320 2000 345
13. G. Liu, J.A. Rodriguez, J. Hrbek, J. Dvorak, and C.H.F. Peden J. Phys. Chem. B 105 2001 7762
14. G. Liu, J.A. Rodriguez, Z. Chang, J. Hrbek, and C.H.F. Peden J. Phys. Chem. B 108 2004 2931
15. S.C. Street, C. Xu, and D.W. Goodman Ann. Rev. Phys. Chem. 48 1997 43
16. A. Holmgren, F. Azarnoush, and E. Fridell Appl. Catal. B 22 1999 49
17. S. Gennard, F. Cora, and C.R.A. Catlow J. Phys. Chem. B 103 1999 10158
18. N.V. Skorodumova, S.I. Simak, B.I. Lundqvist, I.A. Abrikosov, and B. Johansson Phys. Rev. Lett. 89 2002 166601/1
19. N.V. Skorodumova, M. Baudin, and K. Hermansson Phys. Rev. B 69 2004 075401/1
20. Z. Yang, T.K. Woo, M. Baudin, and K. Hermansson J. Chem. Phys. 120 2004 7741
21. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
22. P.E. Bloechl Phys. Rev. B 50 1994 17953
23. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
24. G. Kresse, and J. Furthmuller Comp. Mater. Sci. 6 1996 15
25. L. Eyring K.A. Gschneider L. Eyring Handbook on the Physics and Chemistry of Rare Earths 1979 North-Holland Amsterdam
26. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
27. Z. Yang, R. Wu, Q. Zhang, and D.W. Goodman Phys. Rev. B 63 2001 045419/1
28. K. Nakamoto Infrared and Raman Spectra of Inorganic and Coordination Compounds 1986 Wiley New York
29. D. Loffreda, D. Simon, and P. Sautet Surf. Sci. 425 1999 68
30. C. Chackerian Jr. J. Chem. Phys. 65 1976 4228
31. B. Hammer, L.B. Hansen, and J.K. Norskov Phys. Rev. B 59 1999 7413
32. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
33. P. Reinhardt, M. Causa, C.M. Marian, and B.A. Hess Phys. Rev. B 54 1996 14812
34. G. Pacchioni, A.M. Ferrari, and P.S. Bagus Surf. Sci. 350 1996 159
35. A.D. Becke, and K.E. Edgecombe J. Chem. Phys. 92 1990 5397