Density functional theory studies of electronic properties of PdAg/Pd surface alloys.

Highlights: [•] Both the morphology and composition of PdAg surfaces are considered in this study. [•] The d-electron activities of Pd atoms are compared among these three surfaces. [•] The close-packed surface alloy is not better than less-densely packed surfaces. [•] The (100) surface activity remains well when the surface Ag concentration grows. [Copyright &y& Elsevier]