Gold nanowires and their chemical modifications

被引：126

作者：

Häkkinen, H ^{[1
]}

Barnett, RN ^{[1
]}

Landman, U ^{[1
]}

机构：

[1] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1999年 / 103卷 / 42期

关键词：

D O I：

10.1021/jp992787p

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：

Equilibrium structure, local densities of stales, and electronic transport in a gold nanowire made of a four-atom chain supported by two gold electrodes, which has been imaged recently by high-resolution electron microscopy, and chemical modification of the wire via the adsorption of a methylthiol molecule,are investigated with ab initio local density functional simulations. In the bare wire at the imaged geometry the middle two atoms dimerize, and the structure is strongly modified by the adsorption of the molecule with an accompanying increase of the ballistic conductance through the wire.

引用

页码：8814 / 8816

页数：3

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