The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes

被引：8

作者：

Wohlthat, Soeren ^{[1
]}

Pauly, Fabian ^{[2
,3
,4
]}

Reimers, Jeffrey R. ^{[1
]}

机构：

[1] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia

[2] Univ Karlsruhe, Inst Theoret Festkorperphys, D-76128 Karlsruhe, Germany

[3] Univ Karlsruhe, DFG Ctr Funct Nanostruct, D-76128 Karlsruhe, Germany

[4] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 454卷 / 4-6期

基金：

澳大利亚研究理事会;

关键词：

D O I：

10.1016/j.cplett.2008.02.011

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 conduction properties of alpha,omega-diaminoalkanes and hydrazine bridging gold electrodes are investigated using density functional theory in combination with Green's function techniques and group theory. We show that more than 99% of the current at low bias is carried by one channel of A' symmetry whose form is invariant to both the alkane chain length and realistic changes of the injection energy. The total conductance decreases exponentially with a decay constant of 0.73 angstrom(-1) with increasing chain length while the calculated gold- amine contact resistance is ca. 150 k Omega. (c) 2008 Elsevier B.V. All rights reserved.

引用

收藏

页码：284 / 288

页数：5

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