Electronic transport properties of graphyne and its family

Using the non-equilibrium Green's function method together with the density-functional theory, the electronic transport properties of graphyne and its family have been studied. Unlike graphene, the graphyne and its family display semi-conductive characteristic along zigzag direction and metallic characteristic along armchair direction. The transport properties of graphyne and its family are associated with the length of C link in their structures. With the length of C link increasing, the electrical conductivity decreases. In addition, both the zigzag and armchair graphdiyne nanoribbons display semi-conductive characteristic. The armchair graphene-graphdiyne nanoribbon heterojunction displays symmetrical semi-conductive characteristic. However, the zigzag graphene-graphdiyne nanoribbon heterojunction shows asymmetrical metallic characteristic and displays the superior rectification behavior. Comparison with the previous studies, it can be found that the heterojunction constructed with metallic and semi-conductive nanoelements which behave distinct electronic structures can display the rectification behavior, and it can open up opportunities for design of nanodevices.