CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
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| Title: | CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment |
|---|---|
| Authors: | Busó-Rogero, Carlos | Herrero, Enrique | Bandlow, Jochen | Comas Vives, Aleix | Jacob, Timo |
| Research Group/s: | Electroquímica de Superficies |
| Center, Department or Service: | Universidad de Alicante. Departamento de Química Física | Universidad de Alicante. Instituto Universitario de Electroquímica |
| Keywords: | CO oxidation | Pt(111) | Electrochemical conditions | Density functional theory |
| Knowledge Area: | Química Física |
| Issue Date: | 16-Sep-2013 |
| Publisher: | Royal Society of Chemistry |
| Citation: | Physical Chemistry Chemical Physics. 2013, 15: 18671-18677. doi:10.1039/C3CP53282H |
| Abstract: | The co-adsorption of CO and OH on two Pt stepped surfaces vicinal to the (111) orientation has been evaluated by means of density functional theory (DFT) calculations. Focusing on Pt(533) and Pt(221), which contain (100) and (111)-steps, respectively, we find that (111)-steps should be more reactive towards CO oxidation than surfaces containing (100)-steps. The DFT results are compared with electrochemical experiments on the CO adsorption and oxidation on these vicinal surfaces. |
| Sponsor: | This work has been supported by the European Union through the Marie-Curie-ITN ELCAT. Further, J.B., A.C.-V. and T.J. gratefully acknowledge support from the “Deutsche Forschungsgemeinschaft” (DFG) as well as from the bwGRiD for computing resources. Further, support from the European Research Council through the ERC-StG THEOFUN is gratefully acknowledged. E.H. and C. B.-R. also acknowledge the support from MICIN (project no. CTQ2010-16271). |
| URI: | http://hdl.handle.net/10045/38762 |
| ISSN: | 1463-9076 (Print) | 1463-9084 (Online) |
| DOI: | 10.1039/C3CP53282H |
| Language: | eng |
| Type: | info:eu-repo/semantics/article |
| Rights: | © Royal Society of Chemistry 2013 |
| Peer Review: | si |
| Publisher version: | http://dx.doi.org/10.1039/C3CP53282H |
| Appears in Collections: | INV - EQSUP - Artículos de Revistas |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
 2013_Buso_etal_PCCP_final.pdf | Versión final (acceso restringido) | 1,71 MB | Adobe PDF | Open Request a copy |
 2013_Buso_etal_PCCP.pdf | Versión revisada (acceso abierto) | 619,55 kB | Adobe PDF | Open Preview |
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