Sayle, D.C., Catlow, C.R.A., Perrin, M.A., Nortier, P. (1996) Sorption of ethene and ethane on the V2O5(001)/TiO2(001) anatase interface. Catalysis Letters, 38 (3-4). pp. 203-208. ISSN 1011372X (ISSN). (doi:10.1007/bf00806569) (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:46839)
| 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/10.1007/bf00806569 |
Abstract
Simulation techniques have been employed to investigate the differences in the low energy adsorption configurations of ethene and ethane on the TiO2 supported and unsupported V2O5(001) surface. We find that the ethene molecule approaches much closer to the supported V2O5(001) surface which is reflected in the 40 kJ mol-1 higher adsorption energy. The low energy adsorption configuration located for ethane on the supported V2O5 shows that the molecule does not approach as close to the supported V2O5 surface as does ethene, resulting in the adsorption energy of ethane being 52 kJ mol-1 lower than that of ethene on the supported V2O5 surface.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1007/bf00806569 |
| Additional information: | Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Catal Lett [Field not mapped to EPrints] AD - Royal Institution of Great Britain, 21 Albemarle Street, London W1X 4BS, United Kingdom [Field not mapped to EPrints] AD - Ctr. de Rech. de Rhône-Poulenc, 52 Rue de la Haie Coq, 93308 Aubervilliers, France [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints] |
| Uncontrolled keywords: | Computation, Selective oxidation, Simulation, V2O5 catalysts |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Dean Sayle |
| Date Deposited: | 21 Jan 2015 16:04 UTC |
| Last Modified: | 09 Mar 2023 11:33 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/46839 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Sayle, D.C..
| Creator's ORCID: |
 https://orcid.org/0000-0001-7227-9010
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