Electronic states of metal (Cu, Ag, Au) atom on CeO2(1Â 1Â 1) surface: The role of local structural distortion

► Adsorption of M (M = Cu, Ag, Au) on CeO2(1 1 1) results in charge transfer from M to Ce. ► Previous controversies about the valence state of the adsorbed Au atom are clarified. ► Our theoretical results are compared wherever possible with experiment.