物理学报2011，Vol.60Issue(6)：498-505,8.
碳纳米管熔接金电极的分子动力学模拟
Nanowelding of contact between carbon nanotubes and gold electrodes
摘要
Abstract
We report on the results of molecular dynamics simulations of nanowelding at high temperature between the gold electrodes and single-walled carbon nanotubes (SWNTs). We find that SWNTs with gold nanoclusters absorbed on their tips can build an excellent welding contact with gold electrodes. First, gold clusters are placed on open tips of SWNTs and are annealed at 1100 K. Gold atoms enter into the SWNTs and a shell-like helical structure inside the SWNTs and an amorphous structure outside of the SWNTs. Furthermore, the SWNTs absorbed with gold cluster are then placed on surfaces of gold electrodes. After annealing at high temperature, gold atoms absorbed in the SWNTs are redistributed on the surface of the gold electrodes and form excellent welding contact with the electrodes. The best annealing temperature for welding is about 800 K.关键词
碳纳米管/金电极/分子动力学模拟Key words
carbon nanotubes/ gold electrode/ molecular dynamics simulation引用本文复制引用
左学云,李中秋,王伟,孟利军,张凯旺,钟建新..碳纳米管熔接金电极的分子动力学模拟[J].物理学报,2011,60(6):498-505,8.基金项目
国家自然科学基金(批准号:10974166,10774127)、教育部科技创新工程重大项目培育基金(批准号:708068)和湖南省教育厅重点项目(批准号:09A094)资助的课题. （批准号:10974166,10774127）
