Theoretical study of the electron transport through aromatic molecular wires with different levels of conjugation

Article ID	Journal	Published Year	Pages	File Type
5395038	Computational and Theoretical Chemistry	2011	6 Pages	PDF

Abstract

âº Electron transport through single aromatic molecules is discussed. âº Increased level of conjugation does not necessarily lead to higher conductivity. âº Orbital overlap at molecule-electrode interface is crucial for high conductivity.

Keywords

Molecular electronics Electronic transport Nonequilibrium Green’s function

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Theoretical study of the electron transport through aromatic molecular wires with different levels of conjugation

Authors

Y.W. Li, J.H. Yao, Z.G. Zou, J.W. Yang, S.R. Le,