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Electronic transport properties of MoS$_2$ nanoribbons embedded on butadiene solvent
- Publication Year :
- 2023
-
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.
- Subjects :
- Work (thermodynamics)
Condensed Matter - Materials Science
Materials science
Condensed Matter - Mesoscale and Nanoscale Physics
General Physics and Astronomy
Materials Science (cond-mat.mtrl-sci)
FOS: Physical sciences
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Exfoliation joint
0104 chemical sciences
Metal
Nanoelectronics
Transition metal
Zigzag
Chemical physics
visual_art
Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
visual_art.visual_art_medium
Molecule
Density functional theory
Physical and Theoretical Chemistry
0210 nano-technology
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....ffbd8ab8226e8e8a9b80f3bebbabce50