Anatase TiO2(001): An Active Support Surface for Metal Catalysts

DOI: 10.5176/2251-189X_SEES37

Authors: Chenghua Sun and Sean Smith

Abstract:

The adsorption of metal clusters, including Gold (Au),Nickel (Ni), Platinum (Pt), Copper (Cu), Rhodium (Rh) andPalladium (Pd) on the minority surface, (001), of anatasetitanium dioxide (TiO2) has been studied in the framework ofdensity functional theory. It is found that the adsorption of metalclusters on TiO2(001) is much stronger than that on the majoritysurface, (101). Such strong interaction can effectively promotethe charge transfer between metal cluster and the support; as aresult, the support of TiO2(001) may offer better catalysisperformance than conventionally used TiO2(101).

Keywords: Density Functional Theory; TiO2; Metal Cluster