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...

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Autores principales: Zinola Sánchez, Carlos Fernando, Arvia, Alejandro Jorge, Estiú, Guillermina, Castro, Eduardo Alberto
Formato: Articulo
Lenguaje:Inglés
Publicado: 1994
Materias:
Ciencias Exactas
Química
Teoría Cuántica
Platino (Metal)
Oxígeno
Cluster analysis
Electrodos
Peróxidos
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/88106
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-88106
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Química
Teoría Cuántica
Platino (Metal)
Oxígeno
Cluster analysis
Electrodos
Peróxidos
spellingShingle Ciencias Exactas
Química
Teoría Cuántica
Platino (Metal)
Oxígeno
Cluster analysis
Electrodos
Peróxidos
Zinola Sánchez, Carlos Fernando
Arvia, Alejandro Jorge
Estiú, Guillermina
Castro, Eduardo Alberto
A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
topic_facet Ciencias Exactas
Química
Teoría Cuántica
Platino (Metal)
Oxígeno
Cluster analysis
Electrodos
Peróxidos
description 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.
format Articulo
Articulo
author Zinola Sánchez, Carlos Fernando
Arvia, Alejandro Jorge
Estiú, Guillermina
Castro, Eduardo Alberto
author_facet Zinola Sánchez, Carlos Fernando
Arvia, Alejandro Jorge
Estiú, Guillermina
Castro, Eduardo Alberto
author_sort Zinola Sánchez, Carlos Fernando
title A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
title_short A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
title_full A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
title_fullStr A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
title_full_unstemmed A quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
title_sort quantum chemical approach to the influence of platinum surface structure on the oxygen electroreduction reaction
publishDate 1994
url http://sedici.unlp.edu.ar/handle/10915/88106
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