▎ 摘　　要

Electronic properties of the graphene nanoflakes (GNFs) can be controlled by using chemical doping method. First-principle of the density functional theory (DFT) method, which is implemented in the Gaussian 09W program are used to investigate the electronic properties, such as electronic band gap, DOS, total energy, dipole moment, HOMO, and LOMO energies of the GNFs with and without various concentrations of the BN impurities in various sites. There are very significant results. My founding results show that these properties of the GNFs depend on the concentrations of BN impurities and the geometrical pattern of the BN impurities in the GNFs. By increasing the distance between these impurities, the electronic band gap and the shape of the DOS are reduced and altered, respectively. So, the results offer that the electronic band gap value depends on the concentrations of BN impurities and sites of these impurities in the GNFs. The electronic dipole moments value is increased by increased the concentrations of the BN impurities. All structures became more stable due to the total energy is increased, excepted B, BN and B2N impurities, which is reduced and make GNFs structure unstable. Then, GNFs can be used in various applications because the electronic properties of the GNFs are controlled and modified with BN impurities.