Theoretical study of insulated wires based on polymer chains encapsulated in molecular nanotubes

被引：10

作者：

Belosludov, RV ^{[1
]}

Sato, H ^{[1
]}

Farajian, AA ^{[1
]}

Mizuseki, H ^{[1
]}

Kawazoe, Y ^{[1
]}

机构：

[1] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

来源：

THIN SOLID FILMS | 2003年 / 438卷

关键词：

molecular electronics; insulated molecular wire; polythiophene; cyclodextrin; molecular nanotube; metal contact;

D O I：

10.1016/S0040-6090(03)00769-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural and electronic properties of a molecular wire (polythiophene (PT)) inside a molecular nanotube (cyclodextrin (CD) molecules) have been investigated. It has been found that the configuration of PT in a CD molecular nanotube is a nearly planar structure and the electronic structure of the polymer chains is almost the same as that of the planar conformation of PT in free space. Moreover, density functional calculations have been performed to investigate the effect of metal contacts on the electronic structure of an insulated molecular wire. The results of the calculations show that attached Au clusters do not modify the electronic properties of the polymer chain and hence do not affect the conductance properties of the studied molecular wires. This indicates that these CD complexes can be used as insulated molecular nanotubes for stabilization of the isolated near-planar configuration of PT. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：80 / 84

页数：5

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