Heterogeneous Catalysis: Use of Density Functional Theory-Reference-Cited by-同舟云学术

Heterogeneous Catalysis: Use of Density Functional Theory

Published:2010 Issue: Volume: Page:1-7
ISSN:
Container-title:Encyclopedia of Materials: Science and Technology
language:
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Author:

Toulhoat H.

Publisher

Elsevier

Reference15 articles.

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2. Edge wetting effects of γ-Al2O3 and anatase-TiO2 supports by MoS2 and CoMoS active phases: a DFT study;Costa;J. Catal.,2007

3. Effects of zeolite pore sizes on the mechanism and selectivity of xylene disproportionation—a DFT study;Demuth;J. Catal.,2004

4. Ab initio theoretical study of oxide surfaces: application to catalyst supports. (Étude théorique ab initio des surfaces d’oxydes. Application aux supports de catalyseurs.);Digne;Actual. Chimique,2006

5. Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces;Digne;J. Catal.,2004

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