CO adsorption on small Aun （n = 1 - 7） clusters which are supported by a partially reduced rutile TiO2（110） surface has been investigated by the first-principles method. The low coordinated sites of Au clusters ar...CO adsorption on small Aun （n = 1 - 7） clusters which are supported by a partially reduced rutile TiO2（110） surface has been investigated by the first-principles method. The low coordinated sites of Au clusters are favorable for CO adsorption. CO-Aun-TiO2 system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.展开更多
基金supported by the National Natural Science Foundation of China (Grant No. 10604035)the National Basic Research Program of China (Grant No. 2006CB605102)
文摘CO adsorption on small Aun （n = 1 - 7） clusters which are supported by a partially reduced rutile TiO2（110） surface has been investigated by the first-principles method. The low coordinated sites of Au clusters are favorable for CO adsorption. CO-Aun-TiO2 system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.
