▎ 摘 要
Structural and optical properties of graphene with a vacancy and B, N, O and F doped graphene have been investigated computationally using density functional theory (DFT). We find that B is a p-type while N, O and F doped graphene layers, as well as graphene with a vacancy are n-type semiconductors. Optical properties for both cases of in plane (E perpendicular to c) and out of plane (E parallel to c) polarization of light are investigated. It is observed that with the increase in the number of electrons entering the supercell, the amount of absorption of the system decreases and the absorption peaks are transferred to higher energies (blue shift). (C) 2019 Association of Polish Electrical Engineers (SEP). Published by Elsevier B.V. All rights reserved.