Electronic transport properties of MoS2 nanoribbons embedded in butadiene solvent

Author(s)

Pezo, Armando ^{[1, 2]} ; Lima, Matheus P. ^[3] ; Costa, Marcio ^[2] ; Fazzio, Adalberto ^[2]

Affiliation

^[1] Fed Univ ABC, CCNH Ctr Nat Sci & Humanities, Santo Andre, SP - Brazil

^[2] CNPEM, Brazilian Nanotechnol Natl Lab LNNano, Rua Giusepe Maximo Scalfaro 10000, BR-13083970 Campinas, SP - Brazil

^[3] Univ Fed Sao Carlos, Dept Fis, BR-13565905 Sao Carlos, SP - Brazil

• Document type: Journal article
• Source: Physical Chemistry Chemical Physics; v. 21, n. 21, p. 11359-11366, JUN 7 2019.
• Web of Science Citations: 0

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. (AU)

• FAPESP's process: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties
• Grantee: Adalberto Fazzio
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 16/14011-2 - Electronic properties: interfaces between topological insulators (TI-TI)
• Grantee: Marcio Jorge Teles da Costa
• Support Opportunities: Scholarships in Brazil - Post-Doctoral