LAUSR

Abstract Two-dimensional materials have attracted extensive attention in many applications. Based on the first-principles technique, we investigate the electronic transport properties of zigzag MoS2 nanoribbons (Z-MoS2NRs) in which the S atom is substituted by N atom at three different positions. By calculating the formation energy, we find that the S atom at the S-edge of the Z-MoS2NR can be more easily replaced by the N atom. The ground state of the perfect Z-MoS2NR is changed when the N atom is doped. Besides, the relationship between the current and the voltage demonstrate that the Z-MoS2NRs with N doping at the S-edge or in the center still show negative differential resistance (NDR) effect. Besides, the impact of N doping at different positions on the spin-up and spin-down currents of the Z-MoS2NRs is different when the bias voltage varies within a certain range.