▎ 摘　　要

The structural and electronic properties of small Sin clusters (n = 1-6, 10) adsorbed on graphene are studied by use of density functional theory within periodic boundary conditions. Our results show that the structural properties of the deposited Sin clusters and graphene are weakly affected by their interaction. The adsorption energy difference of different adsorption sites for the same size Si cluster on graphene is very small, indicating the Sin-cluster-graphene system will be obtained easily. There is a little charge transfer from Sin clusters to graphene when the cluster size is larger. The adsorption of Sin clusters will be an effective method to open of an energy gap for graphene, which is useful for the applications of graphene to electrical and optical devices. Especially, the adsorption of Sin cluster with large size (n >= 5) would have a band gap with a constant energy value.