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Electronic transport properties of MoS$_2$ nanoribbons embedded on butadiene solvent

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arxiv 2301.09581 v1 pith:Q2NA3H26 submitted 2023-01-23 cond-mat.mes-hall cond-mat.mtrl-sci

classification cond-mat.mes-hallcond-mat.mtrl-sci
keywords transportpropertiesbutadieneelectronicedgeindicatenanoribbonsresults
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abstract

Transition metal dichalcogenides (TMDCs) are promising materials for applications in nanoelectronics and correlated fields, where their metallic edge states play a fundamental role in the electronic transport. In this work, we investigate the transport properties of MoS$_2$ zigzag nanoribbons under a butadiene (C$_4$H$_6$) atmosphere, as this compound has been used to obtain MoS$_2$ flakes by exfoliation. We use density functional theory combined with non-equilibrium Green's function techniques, in a methodology contemplating disorder and different coverages. Our results indicate a strong modulation of the TMDC electronic transport properties driven by butadiene molecules anchored at their edges, producing the suppression of currents due to a backscattering process. Our results indicate a high sensitivity of the TMDC edge states. Thus, the mechanisms used to reduce the dimensionality of MoS$_2$ considerably modify its transport properties.

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