Computational design for interconnection of graphene nanoribbons

► We model GNR-GNR junctions with topological defects and discuss the geometry. ► We discuss the diode behavior of the junctions. ► The 5-7-5 ring structure is regarded as the most superior defect for the diode behavior and conductivity. ► Increasing of width of the GNR will decrease the diode behavior. ► Geometry affect the conductivity of the junction obivously.