Switching behavior induced by the orientation in triangular graphene molecular junction with graphene nanoribbons electrodes

This paper investigates the electronic transport properties in tailored triangular zigzag graphene nanoribbons (ZGNRs) with different orientations by applying density functional theory (DFT) based non-equilibrium Green’s function method. It can be seen from the results calculated, the orientation of the triangular structure has a great effect on deciding the capacity to transport electrons of the molecular device. From different I-V characteristic curves, an upward and rightward triangular graphene can control the molecular switch on and off states. The peak value of on-off ratio can be 350 at 0.9 V. Furthermore, there is a remarkable negative differential resistance behaviors for the molecular device with upward triangular graphene, indicating that this system will have a widely applied in future molecular devices designs.