▎ 摘　　要

Using density functional theory, a series of calculations of structural and electronic properties of Si-substituted graphene were conducted. Through substituting C atoms by Si atoms on graphene in the present study, we found that the band gap of graphene can be continuously tuned with differently substitutional concentration. To utilize such substitution-induced band gap changes, we proposed a special design to fabricate graphene-based quantum well device. (C) 2011 American Institute of Physics. [doi:10.1063/1.3560981]