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CO oxidation on TiO 2 supported Au has been studied using density functional theory calculations. Important catalytic roles of the oxide have been identified: (i) CO oxidation occurs at the interface between Au and the oxide with a very small barrier; and (ii) O 2 adsorption at the interface is the key step in the reaction. The physical origin of the oxide promotion effect has been further investigated: The oxide enhances electron transfer from the Au to the antibonding states of O 2 , givingdoi:10.1103/physrevlett.91.266102 pmid:14754070 fatcat:oquih75hgrdbjnnybjed462lgy