On the current flow for benzene-1,4-dithiol between two Au contacts

被引：16

作者：

Bauschlicher, CW ^{[1
]}

Ricca, A ^{[1
]}

Mingo, N ^{[1
]}

Lawson, J ^{[1
]}

机构：

[1] NASA, Ames Res Ctr, Space Technol Div, Moffett Field, CA 94035 USA

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 372卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(03)00486-X

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 current flow for a benzene-1,4-dithiol molecule between two Au contacts is computed. For most configurations considered, the computed current is an order of magnitude larger than experiment, as found by other groups. When the benzene-1,4-dithiol is bonded to the top of an fee cluster of Au atoms, the current flow is significantly reduced, bringing it into better agreement with experiment. This represents an alternative to the previously proposed two molecule mechanism, as explanation of the experimental results. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：723 / 727

页数：5

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