Electronic properties and conductance suppression of defected and doped zigzag graphene nanoribbons

By using the first-principles calculation based on density functional theory, we investigate the electronic structures and transport properties of the defected and doped zigzag graphene nanoribbons (ZGNRs). The effects of multivacancies defects and impurities have been considered. The results show that band structures of ZGNRs can be tuned strongly and currents drop drastically due to the defect and impurities. Moreover, the notable suppression of conductance can be found near the Fermi level, leading to the negative differential resistance (NDR) behavior under low bias. This effect presents a possibility in novel nanoelectronics devices application.

► The electronic properties of ZGNRs can be modulated by multivacancies defect and impurities.
► The electronic properties of ZGNRs depend on the the defects sites and impurities types.
► The defected ZGNR without and with B/N pair impurities have no energy gap.
► The current of ZGNR with defects drops drastically near the Fermi level.