Catlow, C. Richard A., French, Simon, Sokol, A.A., Alfredsson, Maria, Bromley, S.T. (2003) Understanding the interface between oxides and metals. Faraday Discussions, 124 . pp. 185-203. ISSN 1364-5498. (doi:10.1039/b211661h) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:4771)
| The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. | |
| Official URL: https://doi.org/10.1039/b211661h |
Abstract
Computational methods based on DFT are applied to modelling structure and bonding in oxide supported metals. We examined three systems of contemporary interest: Cu/ZnO, Pd,Pt/ZrO2 and bimetallic transition metal clusters on silica supports.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1039/b211661h |
| Additional information: | ISI Document Delivery No.: 710MW Times Cited: 11 Cited Reference Count: 74 |
| Uncontrolled keywords: | METHANOL SYNTHESIS CATALYSTS ELECTRONIC-STRUCTURE CALCULATIONS TERMINATED ZNO(0001) SURFACE DENSITY-FUNCTIONAL THEORY GAUSSIAN-BASIS SETS CUBIC ZIRCONIA ABSORPTION-SPECTROSCOPY POPULATION ANALYSIS SPIN-RESONANCE ACTIVE-SITES |
| Subjects: | Q Science |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Maria Alfredsson |
| Date Deposited: | 05 Sep 2008 11:22 UTC |
| Last Modified: | 05 Nov 2024 09:36 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/4771 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Alfredsson, Maria.
| Creator's ORCID: |
 https://orcid.org/0000-0002-2843-1641
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