Electronic Structures of Metal Clusters on Graphene Sheets: First-Principles Calculations

摘要

Adsorption and electronic structures of Al, Au, and Pt metal-atom clusters on graphene sheets are studied by the first-principles calculations. It is shown that metal atoms prefer to gather in a cluster and to locate at nearly-commensurate triangular lattice sites on the hexagonal carbon rings. In case of Pt, the electron transfer occurs from graphene sheets to Pt clusters, which decreases the workfunction of Pt layers.