Edge-dependent electronic transport and diode effect in C3N nanoribbons

Quantum transport calculations are conducted for C3N nanoribbons with different edge terminations within the nonequilibrium Green's function formalism in combination with density functional theory. The electronic transport in the system strongly depends on the properties of the edge states. For example, the current in metallic carbon-terminated nanoribbons is several orders of magnitude higher than the current in nitrogen-terminated nanoribbons with a semiconducting nature. In addition, C-terminated nanoribbons show very pronounced negative differential resistance. A diode structure with a rectification ratio of 10 is proposed, consisting of a heterojunction of C- and N-terminated nanoribbons. These findings can be of practical importance in creating functional device structures from this 2D material.