Modeling of electronic structure and band gap formation in graphene by B/N doping: First principle study

Graphene is 2D dimensional material possess unique electronics property with zero band gaps. In this paper we have proposed mechanism based on the first principles study for formation band gap in the graphene. We have doped the graphene with B/N atoms at upper and lower edge. From experimental study it's proved that when graphene is doped with foreign atoms its affect electronic properties of graphene. Doping the graphene with the B/N atoms introduce band gap 0-0.4951 eV with the gaining the effective mass.