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

E. SANTOS, P. QUAINO, P. F.HINDELANG, AND W. SCHMICKLER,

JOURNAL OF ELECTROANALYTICAL CHEMISTRY

ELSEVIER

Año: 2010 vol. 649 p. 149 - 152

0022-0728

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 e ect on the surface d band of the adsorbed copper. However, there is a strong chemical e ect 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 signi cantly better than pure copper.