A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
The O<sub>2</sub> electroreduction reaction (OERR) on Pt behaves as a structure sensitive reaction whose peroxo intermediates are formed in a greater extent on Pt(100) than on Pt(111) surfaces. A semiempirical quantum chemistry interpretation of this behavior is attempted on the basis of...
Guardado en:
| Autores principales: | , , , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
1994
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/88106 |
| Aporte de: |
| Sumario: | The O<sub>2</sub> electroreduction reaction (OERR) on Pt behaves as a structure sensitive reaction whose peroxo intermediates are formed in a greater extent on Pt(100) than on Pt(111) surfaces. A semiempirical quantum chemistry interpretation of this behavior is attempted on the basis of the study of [Pt]<sub>N</sub>0<sub>2</sub>OH systems, where N, the number of atoms in the Pt cluster, equals 18 and 25. Calculations indicate that dissociative O2 electroadsorption on Pt(111) and molecular O<sub>2</sub> on Pt(100) are favored. As a result of the interactions of O<sub>2</sub> and OH in adjacent positions, hydroperoxide intermediates are formed on Pt(100) leading to the possibility of having H<sub>2</sub>O<sub>2</sub> as product from the OERR. |
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