标题:Single-Walled Carbon Nanotubes Acting as Controllable Transport Channels
作者:黄博达[1];夏曰源[2];赵明文[2];李峰[2];刘向东[2];季燕菊[2];宋晨[2];谭震宇[3];刘辉[4]
作者机构:[黄博达]SchoolofInformationScienceandEngineering,ShandongUniversity,JinanShandong250100.;[夏曰源;赵明文;李峰;刘向东;季燕菊;宋晨]SchoolofPhysicsandMicr 更多
通讯作者:Huang, BD(hbdsci@163.com)
通讯作者地址:[Huang, BD]Shandong Univ, Sch Informat Sci & Engn, Jinan 250100, Peoples R China.
来源:中国物理快报:英文版
出版年:2004
卷:21
期:12
页码:2388-2391
关键词:单井式碳纳米管;可控传输通道;分子力学仿真;势能参数;
摘要:The motion and equilibrium distribution of water molecules adsorbed inside neutral and negatively charged singlewalled carbon nanotubes (SWNTs) have been studied using molecular dynamics simulations (MDSs) at room temperature based on CHARMM (Chemistry at HARvard Molecular Mechanics) potential parameters. We find that water molecules have a conspicuous electropism phenomenon and regular tubule patterns inside and outside the charged tube wall. The analyses of the motion behaviour of water molecules in the radial and axial directions show that by charging the SWNT, the adsorption efficiency is greatly enhanced, and the electric field produced by the charged SWNTs prevents water molecules from flowing out of the nanotube. However, water molecules can travel through the neutral SWNT in a fluctuating manner. This indicates that by electrically charging and uncharging the SWNTs, one can control the adsorption and transport behaviour of polar molecules in SWNTs for using as a stable storage medium or long transport channels. The transport velocity can be tailored by changing the charge on the SWNTs, which may have a further application as modulatable transport channels.
收录类别:CSCD;SCOPUS;SCIE
WOS核心被引频次:6
Scopus被引频次:5
资源类型:期刊论文
原文链接:http://lib.cqvip.com/qk/84212X/200412/11412070.html
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