Cluster model studies on oxygen sites at the (010) surfaces of V2O5 and MoO3

Catalysis Today

Volumn 32, Issue 1-4, 1996, Pages 321-327

  Hermann, K ^a   Michalak, A ^b   Witko, M ^c  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b JAGIELLONIAN UNIVERSITY   (Poland)

^c INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

Adsorption; Cluster calculations; Density functional theory; Molybdenum oxide; Oxidation; Vanadium oxide

Indexed keywords

EID: 0001729126     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0920-5861(96)00171-X     Document Type: Article

References (17)

1. H.K. Kung, Transition metal oxides: Surface chemistry and catalysis, in B. Delmon and J.T. Yates, Eds., Studies in Surface Science and Catalysis, Vol. 45, Elsevier Science, Amsterdam, 1989.
2. J. Haber, in J.M. Thomas and K. Zamaraiev, Eds., Perspectives in Catalysis, Blackwell Scientific, Oxford, 1991.
3. B. Grzybowska-Swierkosz and J. Haber, Eds., Vanadia Catalysts for Processes of Oxidation of Aromatic Hydrocarbons, Polish Scientific, Warsaw, 1984.
4. E.R. Braithwaite and J. Haber, Eds., Molybdenium: An Outline of its Chemistry and Uses, Studies in Inorganic Chemistry, Vol. 19, Elsevier Science, Amsterdam, 1994.
5. see e.g. G. Pacchioni, P.S. Bagus and F. Parmigiani, Eds., Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B, Vol. 283, Plenum, New York, 1992.
6. M. Witko, K. Hermann and R. Tokarz, J. Electr. Spectr. Rel. Phen., 69 (1994) 89.
7. A. Michalak, M. Witko and K. Hermann, Surf. Sci., submitted.
8. J.K. Labanowski and J.W. Anzelm, Eds., Density Functional Methods in Chemistry, Springer-Verlag, Berlin, 1991.
9. N. Godbout, D.R. Salahub, J. Andzelm and E. Wimmer, Can. J. Phys., 70 (1992) 560.
10. J. Andzelm, E. Radzio and D.R. Salahub, J. Chem. Phys., 83 (1985) 4573.
11. The LCGTO-LSD-DFT program package DeMon was developed by A. St-Amant and D. Salahub at the University of Montreal.
12. S.H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 58 (1980) 1200.
13. R.S. Mulliken, J. Chem. Phys., 23 (1955) 1833, 1841, 2388, 2343.
14. I. Mayer, Chem. Phys. Lett., 97 (1983) 270.
15. R. Bonaccorsi, E. Scrocco and J. Tomasi, J. Chem. Phys., 52 (1970) 5270.
16. M. Witko, J. Mol. Catal., 70 (1991) 277.
17. M. Witko and K. Hermann, J. Mol. Catal., 81 (1993) 279.