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.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)