▎ 摘 要
We report ab-initio calculations of vanadium-cluster V (n) (n = 2-5) adsorption on graphene sheets. Geometrical and magnetic properties of various adsorption configurations are studied using first-principles density-functional theory with the generalized gradient approximation. The geometrical and magnetic properties of vanadium clusters are found to be size-dependent, and the supported graphene sheet could influence the formation of the vanadium clusters. Low-dimensional V (n) cluster configurations could be easily formed when they are absorbed on a graphene sheet, and the combined V (n) -graphene systems exhibit a nonmagnetic state, which is the most stable magnetic configuration. Our calculations for the geometrical and the magnetic moment properties of V (n) -graphene systems may be of interest for some nanotechnological applications.