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Modelling Catalyst Surfaces Using DFT Cluster Calculations
We review our recent theoretical DFT cluster studies of a variety of industrially relevant catalysts such as TiO(2), γ-Al(2)O(3), V(2)O(5)-WO(3)-TiO(2) and Ni/Al(2)O(3). Aspects of the metal oxide surface structure and the stability and structure of metal clusters on the support are discussed as wel...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Molecular Diversity Preservation International (MDPI)
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2790110/ https://www.ncbi.nlm.nih.gov/pubmed/20057947 http://dx.doi.org/10.3390/ijms10104310 |