Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent. Issue 21 (21st May 2019)

• Record Type: Journal Article
• Authors: Pezo, Armando; Lima, Matheus P.; Costa, Marcio; Fazzio, Adalberto
• Is Part Of: Physical chemistry chemical physics. Volume 21:Issue 21(2019)
• Page Start: 11359
• Page End: 11366
• Publication Date: 2019-05-21
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c9cp01590f
• Languages: English
• ISSNs: 1463-9076

Abstract

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. 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 (C4 H6 ) 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.