CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
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| Título: | CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment |
|---|---|
| Autor/es: | Busó-Rogero, Carlos | Herrero, Enrique | Bandlow, Jochen | Comas Vives, Aleix | Jacob, Timo |
| Grupo/s de investigación o GITE: | Electroquímica de Superficies |
| Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Química Física | Universidad de Alicante. Instituto Universitario de Electroquímica |
| Palabras clave: | CO oxidation | Pt(111) | Electrochemical conditions | Density functional theory |
| Área/s de conocimiento: | Química Física |
| Fecha de publicación: | 16-sep-2013 |
| Editor: | Royal Society of Chemistry |
| Cita bibliográfica: | Physical Chemistry Chemical Physics. 2013, 15: 18671-18677. doi:10.1039/C3CP53282H |
| Resumen: | 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. |
| Patrocinador/es: | 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 |
| Idioma: | eng |
| Tipo: | info:eu-repo/semantics/article |
| Derechos: | © Royal Society of Chemistry 2013 |
| Revisión científica: | si |
| Versión del editor: | http://dx.doi.org/10.1039/C3CP53282H |
| Aparece en las colecciones: | INV - EQSUP - Artículos de Revistas |
Archivos en este ítem:
| Archivo | Descripción | Tamaño | Formato | |
|---|---|---|---|---|
 2013_Buso_etal_PCCP_final.pdf | Versión final (acceso restringido) | 1,71 MB | Adobe PDF | Abrir Solicitar una copia |
 2013_Buso_etal_PCCP.pdf | Versión revisada (acceso abierto) | 619,55 kB | Adobe PDF | Abrir Vista previa |
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