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

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
Filename Description Size
jsuse21-wkr21-Chinese-silicon-STMBJ.pdfPublished version1.96 MB
Adobe PDF
Full metadata record
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
Please use this identifier to cite or link to this item: