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...

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Detalles Bibliográficos
Autores principales: Czekaj, Izabela, Wambach, Jörg, Kröcher, Oliver
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Review
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2790110/
https://www.ncbi.nlm.nih.gov/pubmed/20057947
http://dx.doi.org/10.3390/ijms10104310

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