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Volume 140, 2009
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On the catalysis of the hydrogen oxidation

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Abstract

A recently developed model for electrocatalysis is combined with results of quantum chemical calculations to investigate the effect of the electrode’s 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.

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Publication details

The article was received on 11 Feb 2008, accepted on 25 Mar 2008 and first published on 14 Aug 2008


Article type: Paper
DOI: 10.1039/B802253D
Faraday Discuss., 2009,140, 209-218

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    On the catalysis of the hydrogen oxidation

    E. Santos, K. Pötting and W. Schmickler, Faraday Discuss., 2009, 140, 209
    DOI: 10.1039/B802253D

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