IFEG 20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
artículos
Título:
On the catalysis of the hydrogen oxidation
Autor/es:
E. SANTOS, K. PÖTTING AND W. SCHMICKLER
Revista:
Faraday Discussions
Editorial:
RSC Publishing
Referencias:
Año: 2008 vol. 140 p. 209 - 218
ISSN:
1359-6640
Resumen:
A recently developed model for electrocatalysis is combined with results of quantum
chemical calculations to investigate the effect of the electrodes electronic structure on
the rate of the hydrogen oxidation reaction. Model calculations have been performed
for three metals with widely differing properties: Cd(0001), Au(111), and Pt(111). In
line with experimental findings, the energy of activation decreases in this order. These
results are explained in terms of the interaction of the bonding orbital of the hydrogen
molecule with the d band of the electrode as it passes the Fermi level.d band of the electrode as it passes the Fermi level.
