Cluster molecular modeling of strong interaction for VOx/TiO2 supported catalyst

N.A. Kachurovskaya; E.P. Mikheeva; G.M. Zhidomirov

doi:10.1016/S1381-1169(01)00301-6

Cluster molecular modeling of strong interaction for VOx/TiO2 supported catalyst

N.A. Kachurovskaya, E.P. Mikheeva, G.M. Zhidomirov

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Abstract

Cluster molecular models of VOx/TiO2 catalytic system based on embedding process of V-ion in the anatase support were considered. Cluster structures of (0 0 1) anatase surface, containing one- and two-layer were constructed and isomorphous substitution of two Ti-ions on two V-ions were calculated. Comparison of the Brönsted acidic properties of V–OH group on the surface of V2O5 and supported VOx/TiO2 species showed that embedding procedure increases their acidic power and the influence of the second layer of the support is essentially important. Formation of ammonium ion under the adsorption of NH3 on supported and unsupported vanadium oxide catalyst was considered and discussed.

Original language	English
Pages (from-to)	191-198
Number of pages	8
Journal	Journal of Molecular Catalysis A: Chemical
Volume	178
Issue number	1-2
DOIs	https://doi.org/10.1016/S1381-1169(01)00301-6
Publication status	Published - 2002

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10.1016/S1381-1169(01)00301-6

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title = "Cluster molecular modeling of strong interaction for VOx/TiO2 supported catalyst",

abstract = "Cluster molecular models of VOx/TiO2 catalytic system based on embedding process of V-ion in the anatase support were considered. Cluster structures of (0 0 1) anatase surface, containing one- and two-layer were constructed and isomorphous substitution of two Ti-ions on two V-ions were calculated. Comparison of the Br{\"o}nsted acidic properties of V–OH group on the surface of V2O5 and supported VOx/TiO2 species showed that embedding procedure increases their acidic power and the influence of the second layer of the support is essentially important. Formation of ammonium ion under the adsorption of NH3 on supported and unsupported vanadium oxide catalyst was considered and discussed.",

author = "N.A. Kachurovskaya and E.P. Mikheeva and G.M. Zhidomirov",

year = "2002",

doi = "10.1016/S1381-1169(01)00301-6",

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AU - Kachurovskaya, N.A.

AU - Mikheeva, E.P.

AU - Zhidomirov, G.M.

PY - 2002

Y1 - 2002

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AB - Cluster molecular models of VOx/TiO2 catalytic system based on embedding process of V-ion in the anatase support were considered. Cluster structures of (0 0 1) anatase surface, containing one- and two-layer were constructed and isomorphous substitution of two Ti-ions on two V-ions were calculated. Comparison of the Brönsted acidic properties of V–OH group on the surface of V2O5 and supported VOx/TiO2 species showed that embedding procedure increases their acidic power and the influence of the second layer of the support is essentially important. Formation of ammonium ion under the adsorption of NH3 on supported and unsupported vanadium oxide catalyst was considered and discussed.

U2 - 10.1016/S1381-1169(01)00301-6

DO - 10.1016/S1381-1169(01)00301-6

M3 - Article

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EP - 198

JO - Journal of Molecular Catalysis A: Chemical

JF - Journal of Molecular Catalysis A: Chemical

IS - 1-2

ER -

Cluster molecular modeling of strong interaction for VOx/TiO2 supported catalyst

Abstract

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