Hydrogen evolution on pseudomorphic Cu-layer on Ni(111) - A theoretical study

ELIZABETH SANTOS; PAOLA QUAINO; PETER HINDELANG; WOLFGANG SCHMICKLER

JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print)

ELSEVIER SCIENCE SA

Año: 2010 vol. 649 p. 149 - 152

1572-6657

Hydrogen evolution on a monolayer of copper on Ni(111) has been investigated by a combination of density functional theory and a model developed in our own group. The lattice constant of nickel is only about 2.5% shorter than that of copper; therefore the nickel substrate has only a minor effect on the surface d band of the adsorbed copper. However, there is a strong chemical effect which enhances the interaction of hydrogen with the Cu/Ni(111) surface as compared to Cu(111). Consequently, the adlayer promises to be a cheap catalyst that is significantly better than pure copper.