Abstract
Abstract Based on density functional theory and combined with non-equilibrium Green's function, we investigate the electronic, magnetic and transport properties of zigzag MoS2 nanoribbons which is passivated by oxygen atoms at the single Mo edge (ZMoS2ONRs). At ferromagnetic ground magnetic state, the magnetic moment is found to concentrate on the non-passivated edge. Due to the oxygen passivation, the negative differential resistance effect discovered in the bare zigzag MoS2 nanoribbons disappears. Besides, the electron transport pathway is located at the passivated side and the transport current is mainly contributed by spin-down channels. The findings provide more possibilities for its application in spintronics and nanoelectronic devices.
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