Electronic transport properties of a single chiroptical molecular switch with graphene nanoribbons electrodes

Based on the nonequilibrium Green's function method and density functional theory calculations, we investigate the electronic transport properties of a single chiroptical molecular switch with two zigzag graphene nanoribbon electrodes. The molecule undergoing the switch can exhibit different chirality namely cis-isomer and trans-isomer by ultraviolet or visible irradiation. Theoretical results clearly reveal that these two isomers exhibit very different current – voltage characteristics, which can realize the switching behaviors when the molecule converts between cis-isomer and trans-isomer. Furthermore, the negative differential resistance behaviors also can be observed in these two isomers, suggesting potential applications of this type of junctions in future design of functional molecular devices.