The catalytic properties of sub-surface H layers on Cu(1Â 1Â 1)

► Elucidation of the mechanism for formation of hydrogen sub-layer during silane dosing on Cu(1 1 1). ► Elucidation of the reaction between silane molecules and sub-surface hydrogenated Cu(1 1 1). ► Characterization of the electronic structure of the surface of hydrogenated Cu(1 1 1). ► Prediction of the formation of a hydrogen sub-surface layer during methane dosing on Cu(1 1 1).