Current-voltage curves for molecular junctions: pyrene vs diphenylacetylene

被引：15

作者：

Bauschlicher, CW

Ricca, A

Xue, YQ

Ratner, MA

机构：

[1] NASA, Ames Res Ctr, Ctr Nanotechnol, Moffett Field, CA 94035 USA

[2] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA

[3] Northwestern Univ, Mat Res Ctr, Evanston, IL 60208 USA

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 390卷 / 1-3期

基金：

美国国家科学基金会; 美国国家航空航天局;

关键词：

D O I：

10.1016/j.cplett.2004.04.035

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 [物理化学]; 081704 [应用化学];

摘要：

The I-V curves are computed for 2,7-dithiolpyrene and 4,4'-dithiol-diphenylacetylene between two Au(1 1 1) surfaces. For a given bias, up to about 2.5 eV. the current for 2,7-dithiolpyrene is about half that for 4,4'-dithiol-diphenylacetylene. However, the fused benzene rings in 2,7-dithiolpyrene eliminate the loss of current associated with rotation about the central C-2 that can occur for 4,4'-dithiol-diphenylacetylene. (C) 2004 Elsevier B.V. All rights reserved.

引用

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页码：246 / 249

页数：4

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