Interaction of H, O and OH with metal surfaces

Journal of Electroanalytical Chemistry

Volumn 472, Issue 2, 1999, Pages 126-136

  Koper, Marc T M ^a   Van Santen, Rutger A ^a  

^a Schuit Institute of Catalysis   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTATIONAL METHODS; DISSOCIATION; ELECTRIC CHARGE; ELECTRIC FIELD EFFECTS; FUNCTIONS; HYDROGEN BONDS;

DENSITY FUNCTIONAL THEORY (DFT);

ELECTROCHEMISTRY;

EID: 0343454035     PISSN: 00220728     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-0728(99)00291-0     Document Type: Article

References (39)

1. Price D.L., Halley J.W. J. Chem. Phys. 102:1995;6603.
2. Halley J.W., Mazzolo A., Zhou Y., Price D. J. Electroanal. Chem. 450:1998;273.
3. Ursenbach C.P., Calhoun A., Voth G.A. J. Chem. Phys. 106:1997;2811.
4. Klesing A., Labrenz D., van Santen R.A. J. Chem. Soc., Faraday Trans. 94:1998;3229.
5. Spohr E. J. Phys. Chem. 93:1989;6171.
6. Benjamin I. Bockris J.O'M., Conway B.E., White R.E. Modern Aspects of Electrochemistry. 31:1997;115 Plenum Press, New York.
7. Nazmutdinov R.R., Shapnik M.S. Electrochim. Acta. 41:1996;2253.
8. Kuznetsov An., Reinhold J., Lorenz W. Electrochim. Acta. 29:1984;801.
9. Velde G.te, Baerends E.J. Phys. Rev. B. 44:1991;7888.
10. Payne M.C., Teter M.P., Allen D.C., Arias T.A., Joannopoulos J.D. Rev. Mod. Phys. 64:1992;1045.
11. Velde G.te, Baerends E.J. Chem. Phys. 177:1993;399.
12. Siegbahn P.E.M., Wahlgren U. Shustorovich E. Metal-Surface Reaction Energetics. 1991;1 VCH, New York.
13. van Santen R.A., Neurock M. Catal. Rev.-Sci. Eng. 37:1995;557.
14. Yang H., Whitten J.L. Surf. Sci. 223:1989;131.
15. Fahmi A., van Santen R.A. Z. Phys. Chem. 197:1997;203.
16. Amsterdam Density Functional Package, ADF 2.3.0, Department of Theoretical Chemistry, Vrije Universiteit, Amsterdam, 1997.
17. Baerends E.J., Ellis D.E., Ros P. Chem. Phys. 2:1973;41.
18. Velde G.te, Baerends E.J. J. Comput. Phys. 99:1992;84.
19. D.R. Lide (Ed.), Handbook of Physics and Chemistry, 71st ed., CRC Press, Boca Raton, 1990.
20. B. Hammer, J.K. Nørskov, in: R.M. Lambert, G. Pacchioni (Eds.), Chemisorption and Reactivity on Supported Clusters and Thin Films, NATO ASI Series, vol. 331, Kluwer Academic Publishers, Dordrecht, 1997, p. 285.
21. Jensen F. Introduction to Computational Chemistry. 1999;Wiley, Chicester.
22. Vosko S.H., Will L., Nusair M. Can. J. Phys. 58:1980;1200.
23. Becke A.D. Phys. Rev. A. 38:1988;3098.
24. Becke A.D. ACS Symp. Ser. 394:1989;165.
25. Perdew J.P. Phys. Rev. B. 33:1986;8822.
26. Hirshfeld F.L. Theoret. Chim. Acta. 44:1977;129.
27. Hoffmann R. Solids and Surfaces: a Chemists View of Bonding in Extended Structures. 1988;VCH, New York.
28. Panas I., Schüle J., Siegbahn P., Wahlgren U. Chem. Phys. Lett. 149:1988;265.
29. Siegbahn P.E.M., Wahlgren U. Int. J. Quant. Chem. 42:1992;1149.
30. Hermann K., Witko M., Petterson L.G.M., Siegbahn P. J. Chem. Phys. 99:1993;610.
31. Bagus P.S., Pacchioni G., Philpott M.R. J. Chem. Phys. 90:1989;4287.
32. Bickelhaupt F.M., Nibbering N.M.M., van Wezenbeek E.M., Baerends E.J. J. Phys. Chem. 96:1992;4864.
33. Benzinger J.B. Shustorovich E. Metal-Surface Reaction Energetics. 1991;53 VCH, New York.
34. Løvvik O.M., Olsen R.A. Phys. Rev. B. 58:1998;10890.
35. Jerkiewicz G. Prog. Surf. Sci. 57:1998;137.
36. S. Holloway, B.I. Lundqvist. J.K. Nørskov, Proceedings of the International Congress on Catalysis, vol. 4, Berlin, 1984, p. 85.
37. van Santen R.A. Theoretical Heterogeneous Catalysis. 1991;World Scientific, Singapore.
38. Koper M.T.M., van Santen R.A. Surf. Sci. 422:1999;118.
39. Chen M., Bates S.P., van Santen R.A., Friend C.M. J. Phys. Chem. B. 101:1997;10051.