We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
Modelling Catalyst Surfaces Using DFT Cluster Calculations.
- Authors
Czekaj, Izabela; Wambach, Jörg; Kröcher, Oliver
- Abstract
We review our recent theoretical DFT cluster studies of a variety of industrially relevant catalysts such as TiO2, γ-Al2O3, V2O5-WO3-TiO2 and Ni/Al2O3. Aspects of the metal oxide surface structure and the stability and structure of metal clusters on the support are discussed as well as the reactivity of surfaces, including their behaviour upon poisoning. It is exemplarily demonstrated how such theoretical considerations can be combined with DRIFT and XPS results from experimental studies.
- Subjects
CATALYSTS; OXIDATION; X-ray photoelectron spectroscopy; SCHERRER, Paul; HYDROGEN; METHANE; HIGH pressure biochemistry; NICKEL; FISCHER-Tropsch process
- Publication
International Journal of Molecular Sciences, 2009, Vol 10, Issue 10, p4310
- ISSN
1661-6596
- Publication type
Article
- DOI
10.3390/ijms10104310