期刊
CHEMPHYSCHEM
卷 11, 期 7, 页码 1491-1495出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200900808
关键词
adsorption; copper; density functional calculations; electrochemistry; silver
资金
- Deutsche Forschungsgemeinschaft [Schm 344/34-1,2, Sa 1770/1-1,2]
- European Union under COST and ELCAT
- BMBF
- CONICET
- Swedish Research Council
Hydrogen evolution on single-crystal copper and silver is investigated by a combination of density functional theory and a theory developed in our own group. At short times, the reaction rate is determined by the transfer of the first proton to the electrode surface. In accord with experiment, we find for both metals that this reaction proceeds faster on the (111) surfaces than on the (100) ones. The main cause is the lower, that is more favourable, adsorption energy on the former surfaces. On both silver surfaces, the second step is electrochemical desorption. The same mechanism is likely to operate on copper.
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