Adsorption of H2O on metal oxides: A periodic ab-initio investigation

Surface Science

Volumn 402-404, Issue , 1998, Pages 104-109

  Ahdjoudj, Jamila ^a   Minot, Christian ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Adsorption; Hard and soft acid and base (HSAB); Metal oxide; Periodic Hartree Fock calculations

Indexed keywords

DISSOCIATION; MAGNESIA; MONOLAYERS; SURFACE PHENOMENA; TITANIUM DIOXIDE; WATER;

HARTREE FOCK THEORY;

ADSORPTION;

EID: 0031643650     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00933-3     Document Type: Article

References (25)

1. A. Fahmi, C. Minot, Surf. Sci. 304 (1994) 343.
2. M.R. Chacon-Taylor, M.I. McCarthy, J. Phys. Chem. 100 (1996) 7610.
3. W. Langel, M. Parrinello, Phys. Rev. Lett. 73 (1994) 504.
4. J. Heidberg, B. Redlich, D. Wetter, Ber. Bunsenges. Phys. Chem. 99 (1995) 1333.
5. C.A. Scamehorn, N.M. Harrison, M.I. McCarthy, J. Chem. Phys. 101 (1994) 1547.
6. C.F. Jones, J. Chem. Soc., Faraday Trans. I 80 (1984) 2609.
7. Y. Suda, T. Morimoto, Langmuir 3 (1987) 786.
8. T. Bredow, K. Jug, Surf. Sci. 327 (1995) 398.
9. V. Heinrich, Rep. Prog. Phys. 48 (1985) 1481.
10. J.P. Perdew, in: P. Ziesche, H. Eschrig (Eds.), Electronic Structure of Solids, Academic Verlag, Berlin, 1991.
11. C. Noguera, in: Chimie et Physique des Surfaces d'Oxydes, Editions Eyrolles, Paris, 1995.
12. A. Gervasini, A. Auroux, J. Therm. Anal. 37 (1991) 1737.
13. A. Markovits, J. Ahdjoudj, C. Minot, Mol. Eng. 7 (1997) 245.
14. J. Ahdjoudj, A. Markovits, C. Minot, Surf. Sci. 365 (1996) 649.
15. G. Klopman, J. Am. Chem. Soc. 90 (1968) 223.
16. R.G. Pearson, J. Chem. Ed. 45 (1968) 581.
17. S. Picaud, C. Girardet, Chem. Phys. Lett. 209 (1993) 340.
18. D.N. Nanda, K. Jug, Theor. Chim. Acta 57 (1980) 95.
19. J. Goniakowki, M.J. Gillan, Surf. Sci. 350 (1996) 145.
20. K. Jug, G. Geudtner, T. Bredow, J. Mol. Catal. 82 (1993) 171.
21. K. Jug, A. Viacheslav, G.G. Tikhomirov, J. Phys. Chem., in press.
22. M.J. Stirniman, C. Huang, R.C. Smith, S.A. Joyce, B.D. Kay, J. Chem. Phys. 105 (1996) 1295.
23. V.E. Heinrich, P.A. Cox, in: The Surface of Metal Oxides, vol. 48, Cambridge University Press, New York, 1994.
24. M.J. Jaycock, J.C.R. Walsax, J. Chem. Soc., Faraday Trans. 170 (1974) 1501.
25. G. Munuera, F.S. Stone, Discuss. Faraday Soc. 52 (1971) 205.