Hydrogen welding and hydrogen switches in a monatomic gold nanowire

被引：65

作者：

Barnett, RN ^{[1
]}

Hakkinen, H ^{[1
]}

Scherbakov, AG ^{[1
]}

Landman, U ^{[1
]}

机构：

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

来源：

NANO LETTERS | 2004年 / 4卷 / 10期

关键词：

D O I：

10.1021/nl049054n

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ab initio density-functional calculations are performed to study the interaction between a monatomic gold nanowire suspended between two gold tips and hydrogen, in the molecular, quasi-dissociated, dissociated, and atomic forms. Structural configurations, electronic states, vibrational modes, and electronic transport are investigated for several elongation stages of the wire, corresponding to the last conductance plateau (G approximate to 1 g(0), g(0) = 2e(2)/h) before breaking of the contact. We illustrate "welding" and restoration of electric conductance of a broken wire through the incorporation of an H-2 molecule, and an electric switching action resulting from structural fluctuations of an adsorbed molecule caused by mechanical forces applied to the wire.

引用

页码：1845 / 1852

页数：8

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