  Bandgap engineering by substituting C with B and N atoms in graphene has been
shown to be a promising way to improve semiconducting properties of graphene.
Such hybridized monolayers consisting of hexagonal BN phases in graphene
(h-BNC) have been recently synthesized and char- acterized. In this paper, we
present an ab initio density functional theory (DFT)-based study of h-BN domain
size effect on band gap of mono-layer h-BNC heterostructures. The atomic
structures, electronic band structures, density of states and electron
localization functions of five h-BNC config- urations are examined as h-BN
concentration ranged from 0 to 100%. We report that the band gap energy of
h-BNC can be continuously and quadratically tuned as a function of h-BN
concentration.
