A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces

A molecular-orbital interpretation of the electro-oxidation of CO adsorbed on Rh(111) single-crystal clusters in the presence of H2O is described. Calculations were based on the atom super-position and electron delocalization method. Different stabilization energies for ensembles of the type [Me]<...

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Autores principales: Paredes Olivera, P., Estiú, Guillermina, Castro, Eduardo Alberto, Arvia, Alejandro Jorge
Formato: Articulo
Lenguaje:Inglés
Publicado: 1990
Materias:
Química
Ciencias Exactas
Quantum chemistry
Electrooxidation
CO adsorbate configurations
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/118627
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-118627
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Ciencias Exactas
Quantum chemistry
Electrooxidation
CO adsorbate configurations
spellingShingle Química
Ciencias Exactas
Quantum chemistry
Electrooxidation
CO adsorbate configurations
Paredes Olivera, P.
Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
topic_facet Química
Ciencias Exactas
Quantum chemistry
Electrooxidation
CO adsorbate configurations
description A molecular-orbital interpretation of the electro-oxidation of CO adsorbed on Rh(111) single-crystal clusters in the presence of H2O is described. Calculations were based on the atom super-position and electron delocalization method. Different stabilization energies for ensembles of the type [Me]<sub>N</sub>(CO)<sub>n</sub>(OH)<sub>m</sub> for M = Rh or Pt are given. The stability of possible CO adsorbate configurations on Rh(111) surfaces depends on the applied electric potential in a way which is directly comparable with the one reported previously for CO adsorbates on Pt(111). Only linearly bonded CO adsorbates appear to be involved in the electrochemical CO oxidative interaction with H<sub>2</sub>O molecules on both Rh(111) and Pt(111).
format Articulo
Articulo
author Paredes Olivera, P.
Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
author_facet Paredes Olivera, P.
Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
author_sort Paredes Olivera, P.
title A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
title_short A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
title_full A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
title_fullStr A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
title_full_unstemmed A quantum chemistry approach to the electro-oxidation of CO adsorbed on Rh (111) cluster surfaces
title_sort quantum chemistry approach to the electro-oxidation of co adsorbed on rh (111) cluster surfaces
publishDate 1990
url http://sedici.unlp.edu.ar/handle/10915/118627
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