Hydrogen evolution on a pseudomorphic Cu-layer on Ni(1 1 1) - A theoretical study

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 (C) 2010 Elsevier B V All rights reserved