A theoretical measurement of the quantum transport through an optical molecular switch

被引：63

作者：

Kondo, M ^{[1
]}

Tada, T ^{[1
]}

Yoshizawa, K ^{[1
]}

机构：

[1] Kyushu Univ, Inst Mat Chem & Engn, Fukuoka 8128581, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 412卷 / 1-3期

基金：

日本学术振兴会;

关键词：

D O I：

10.1016/j.cplett.2005.05.126

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The quantum transport through a dithienyleyclopentene wire is investigated using a Green function method combined with density functional theory. For both of its closed and open forms, the delocalized HOMOs of the molecule lie near the Fermi level of gold electrodes and the LUMOs are further apart from the Fermi level than the HOMOs. Consequently, the contribution of the HOMO to their electrical transmission is found to be dominant. The transmission through the open form is smaller than that through the closed one is ascribed to the larger energy difference between the HOMO and the Fermi level for the open form than that for the closed one. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：55 / 59

页数：5

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