The electronic structure and transport properties ofgraphene nanoribbons with divacancies defects

Abstract

Based on first-principles calculation of the electronic structure and transport properties, we study the electronic structure and transport properties of graphene nanoribbons （GNRs） with 585 divacancies defects. It is shown that because of the existence of 585 divacancies defects, there are defected band belts in the energy gap located at the defects for the zigzag graphene nanoribbon （ZGNRs） and their energy gaps will increase. The spatial orientations of the divacancies defects have effect on the electronic structure of the system. In addition, the influences of 585 divacancies defects on the transport properties of the ZGNRs with small energy gaps are great, while that on the transport properties of the ZGNRs with large energy gaps are small. And the spatial orientations of the defects have no obvious influence on the transport properties.