▎ 摘　　要

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.