▎ 摘　　要

By applying first-principles method based on density functional theory combined with nonequilibrium Green's function, we investigate the effect of torsion angle on the electronic transport properties in dipyrimidinyl-diphenyl co-oligomer molecular device with tailoring graphene nanoribbon electrodes. The results show that the torsion angle plays an important role on the electronic transport properties of the molecular device. When the torsion angle rotates from 0 degrees to 90 degrees, the molecular devices exhibit very different current-voltage characteristics which can realize the on and off states of the molecular switch.