Theory meets experiment: Electrocatalysis of hydrogen oxidation/evolution at Pd–Au nanostructures

The oxidation and evolution reactions of hydrogen are investigated at nanostructures of palladium–gold combining experimental and theoretical approaches. The extraordinary reactivity of submonolayers of Pd on Au(1 1 1) has been explained by a direct correlation with the changes in the electronic properties and geometrical arrangements. The application of the electrocatalysis theory, which goes beyond the qualitative approach of the d band centers, allows explaining quantitatively the experimental finding.