IFEG   20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
artículos
Título:
Electronic interactions decreasing the activation barrier
Autor/es:
E. SANTOS AND W. SCHMICKLER
Revista:
ELECTROCHIMICA ACTA
Editorial:
Elsevier
Referencias:
Año: 2008 vol. 53 p. 6149 - 6156
ISSN:
0013-4686
Resumen:
A unified model for electrochemical electron transfer reactions which explicitly accounts for the electronic structure of the electrode recently
proposed by us is applied to the hydrogen oxidation reaction at different metal electrocatalysts.We focus on the changes produced in the transition
state (saddle point) as a consequence of the interactions with d-bands. We discuss different empirical correlations between properties of the
metal and catalytic activity proposed in the past. We show which role is played by the band structure of the different metals and its interaction
with the molecule for decreasing the activation barrier. Finally, we demonstrate why some metals are better electrocatalysts for the hydrogen
electro-oxidation reaction than others.