Ag-mediated charge transfer from electron-doped SrTiO3 to CO and NO: A first-principles study

► Ag plays as electron trapping center on SrTiO3 (001) surface. ► Ag mediates the charge transfer from electron-doped SrTiO3 to CO and NO. ► Photogenerated electron-hole pairs can be effectively separated due to deposited Ag and the photocatalytic efficiency can be largely improved.