Computational Studies of Metal-Carbon Nanotube Interfaces for Regrowth and Electronic Transport

被引：32

作者：

Borjesson, Anders ^{[1
,4
]}

Zhu, Wuming ^{[1
]}

Amara, Hakim ^{[2
]}

Bichara, Christophe ^{[3
]}

Bolton, Kim ^{[1
,4
]}

机构：

[1] Univ Gothenburg, SE-41296 Gothenburg, Sweden

[2] CEA Saclay, Lab Francis Perrin, F-91191 Gif Sur Yvette, France

[3] CNRS, CINaM, F-13288 Marseille, France

[4] Univ Boras, SE-50190 Boras, Sweden

来源：

NANO LETTERS | 2009年 / 9卷 / 03期

基金：

瑞典研究理事会;

关键词：

SEPARATION; CHIRALITY; GROWTH;

D O I：

10.1021/nl8036245

中图分类号：

O6 [化学];

学科分类号：

070301 [无机化学];

摘要：

First principles and tight binding Monte Carlo simulations show that junctions between single-walled carbon nanotubes (SWNTs) and nickel clusters are on the cluster surface, and not at subsurface sites, Irrespective of the nanotube chirality, temperature, and whether the docking Is gentle or forced. Gentle docking helps to preserve the pristine structure of the SWNT at the metal interface, whereas forced docking may partially dissolve the SWNT in the cluster. This is important for SWNT-based electronics and SWNT-seeded regrowth.

引用

页码：1117 / 1120

页数：4

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