Theoretical Study on the Electron Transport of Oligophenylene Derivatives Molecular Devices

Chem. J. Chinese Universities

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Theoretical Study on the Electron Transport of Oligophenylene Derivatives Molecular Devices

OUYANG Sheng-De, YI Yuan-Ping, GENG Hua, SHUAI Zhi-Gang*

Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China

Received:2006-05-29 Revised:1900-01-01 Online:2007-05-10 Published:2007-05-10
Contact: SHUAI Zhi-Gang

Abstract

Abstract: By applying the hybrid density functional theory coupled with Green's function method, we investigated the conjugation length dependence of the electron conductance by calculating the current-voltage characteristics of the molecular junctions composed of benzene derivatives. At low bias, we found a perfect exponential decay form with an exponent 0.47 for the system.

Key words: Electronic transport, Elastic scatter, Electronic structure, Structure factor

CLC Number:

O641

TrendMD:

OUYANG Sheng-De, YI Yuan-Ping, GENG Hua, SHUAI Zhi-Gang*. Theoretical Study on the Electron Transport of Oligophenylene Derivatives Molecular Devices[J]. Chem. J. Chinese Universities, doi: .

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Theoretical Study on the Electron Transport of Oligophenylene Derivatives Molecular Devices

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