Edge Hydrogenation-Induced Spin-Filtering and Rectifying Behaviors in the Graphene Nanoribbon Heterojunctions

By using nonequilibrium Green’s functions in combination with the density functional theory, we investigate the electronic transport properties of edge hydrogenated zigzag-edged graphene nanoribbon heterojunctions. Results show that a perfect spin-filtering effect with 100% spin polarization and a rectifying behavior with a ratio larger than 10 5 can be realized by dihydrogenation, which can also be modulated by changing the widths of the two component ribbons.