Abstract
We report ab-initio calculations of vanadium-cluster Vn(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 Vn cluster configurations could be easily formed when they are absorbed on a graphene sheet, and the combined Vn-graphene systems exhibit a nonmagnetic state, which is the most stable magnetic configuration. Our calculations for the geometrical and the magnetic moment properties of Vn-graphene systems may be of interest for some nanotechnological applications.
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