Authors: Chenghua Sun and Sean Smith
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