Electrical Transport Properties Based on Silicon-1,6-hexadithiol-Silicon Molecular Devices

Yang, J; Kosov, DS; Reimers, J

Electrical Transport Properties Based on Silicon-1,6-hexadithiol-Silicon Molecular Devices

Yang, J Kosov, DS Reimers, J

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Publisher:: Editorial Department of Journal of Shenzhen University
Publication Type:: Journal Article
Citation:: Journal- Shenzhen University Science and Engineering, 2021, 38, (6), pp. 636-642
Issue Date:: 2021-11-01

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Field	Value	Language
dc.contributor.author	Yang, J
dc.contributor.author	Kosov, DS
dc.contributor.author	Reimers, J https://orcid.org/0000-0001-5157-7422
dc.date.accessioned	2022-01-18T01:20:57Z
dc.date.available	2022-01-18T01:20:57Z
dc.date.issued	2021-11-01
dc.identifier.citation	Journal- Shenzhen University Science and Engineering, 2021, 38, (6), pp. 636-642
dc.identifier.issn	1000-2618
dc.identifier.uri	http://hdl.handle.net/10453/153251
dc.description.abstract	Self-assembly of a single-molecule membrane (Self-assembled monolayers,SAMs) has been widely used in nanotechnology, biological sensors, and molecular electronics in the past two decades. However, the microscopic geometric information on the electrode-molecular-electrode conformation is inaccessible experimentally, and the connection between the microstructure of the silicon electrode surface in the real chemical environment and the connection mode of the silicon-sulfur and the electrical transport properties is not clear, and the theoretical calculations will be the main means of clarifying these problems. In this paper, based on the experimental reported silicon-1-6-hexadithiol-silicon molecular devices of density functional theory (DFT), combined with the nonequilibrium Green function (NE GF) method, we perform quantum transport calculations for the zero bias conductance of the model and electron transmission spectra. It is shown that silicon-sulfur molecular junctions have some significantly different properties compared to metal-based molecular junctions. The structural details of silicon-sulfur molecular junctions have a crucial influence on their electrical transport properties
dc.language	en
dc.publisher	Editorial Department of Journal of Shenzhen University
dc.relation.ispartof	Journal- Shenzhen University Science and Engineering
dc.relation.isbasedon	10.3724/SP.J.1249.2021.06636
dc.rights	info:eu-repo/semantics/closedAccess
dc.subject.classification	Civil Engineering
dc.title	Electrical Transport Properties Based on Silicon-1,6-hexadithiol-Silicon Molecular Devices
dc.type	Journal Article
utslib.citation.volume	38
utslib.location.activity	China
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access	*
pubs.consider-herdc	true
dc.date.updated	2022-01-18T01:20:56Z
pubs.issue	6
pubs.publication-status	Published
pubs.volume	38
utslib.citation.issue	6

Abstract:

Self-assembly of a single-molecule membrane (Self-assembled monolayers,SAMs) has been widely used in nanotechnology, biological sensors, and molecular electronics in the past two decades. However, the microscopic geometric information on the electrode-molecular-electrode conformation is inaccessible experimentally, and the connection between the microstructure of the silicon electrode surface in the real chemical environment and the connection mode of the silicon-sulfur and the electrical transport properties is not clear, and the theoretical calculations will be the main means of clarifying these problems. In this paper, based on the experimental reported silicon-1-6-hexadithiol-silicon molecular devices of density functional theory (DFT), combined with the nonequilibrium Green function (NE GF) method, we perform quantum transport calculations for the zero bias conductance of the model and electron transmission spectra. It is shown that silicon-sulfur molecular junctions have some significantly different properties compared to metal-based molecular junctions. The structural details of silicon-sulfur molecular junctions have a crucial influence on their electrical transport properties

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http://hdl.handle.net/10453/153251