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Using non-equilibrium Green's function method and density functional theory, we study the effect of line structural defects on the electron transport of zigzag molybdenum disulfide (MoS 2 ) nanoribbons.Here, the various types of non-stoichiometric line defects greatly affect the electron conductance of MoS 2 nanoribbons.Although such defects would be lead to the electron scattering, they can increase the transmission of charge carriers by creating new channels.In addition, the presence of S bridge defect in the zigzag MoS 2 nanoribbon leads to more the transmission of charge carriers in comparison with the Mo-Mo bond defect.Also, we find that the different atomic orbitals and their bonding structure at the edge affect the electron conductance of MoS 2 nanoribbons.Moreover, we calculate the spin-dependent transport of MoS 2 nanoribbons and showed that the spin polarization increases at the non-zigzag edges and remains even in the presence of the defect.This study presents a deep understanding of created properties in MoS 2 nanoribbons due to the presence of structural defects.
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Malik et al. (2013) studied this question.
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