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Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent

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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 MoS2 zigzag nanoribbons under a butadiene (C4H6) atmosphere, as this compound has been used to obtain MoS2 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 MoS2 considerably modify its transport properties.

Graphical abstract: Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent

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Publication details

The article was received on 20 Mar 2019, accepted on 01 May 2019 and first published on 01 May 2019


Article type: Paper
DOI: 10.1039/C9CP01590F
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent

    A. Pezo, M. P. Lima, M. Costa and A. Fazzio, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP01590F

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