CO adsorption on small Au_n(n=1–7) clusters supported on a reduced rutile TiO₂(110) surface: a first-principles study

CO adsorption on small Au_n(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–Au_n–TiO₂ system displays surface magnetism. There is a strong interaction between the adsorbed CO molecule and the supported Au clusters.