Nitrogen doping-induced rectifying behavior with large rectifying ratio in graphene nanoribbons device

摘要

By applying nonequilibrium Green's functions in combination with density-function theory, we investigate the electronic transport properties of armchair graphene nanoribbons devices with one undoped and one nitrogen-doped armchair graphene nanoribbons electrode. For the doped armchair graphene nanoribbons electrode, an N dopant is considered to substitute the center or edge carbon atom. The results show that the electronic transport properties are strongly dependent on the width of the ribbon and the position of the N dopant. The rectifying behavior with large rectifying ratio can be observed and can be modulated by changing the width of the ribbon or the position of the N dopant. A mechanism for the rectifying behavior is suggested.