Dynamics of Fullerene Self-Insertion into Carbon Nanotubes in Water

被引：0

作者：

Rahman, M. M. ^{[1
]}

Chowdhury, M. M. ^{[1
]}

Alam, M. K. ^{[1
]}

机构：

[1] Bangladesh Univ Engn & Technol, Dept Elect & Elect Engn, Dhaka 1205, Bangladesh

来源：

2014 INTERNATIONAL CONFERENCE ON ELECTRICAL AND COMPUTER ENGINEERING (ICECE) | 2014年

关键词：

Carbon nanotube; fullerene; molecular dynamics; water; FIELD;

D O I：

暂无

中图分类号：

TP301 [理论、方法];

学科分类号：

081202 ;

摘要：

The dynamics of fullerene self-insertion into carbon nanotubes in water are studied by molecular dynamics simulations. It is revealed that the van der Waals interaction between the nanotube and fullerene introduces a spontaneous insertion of fullerene molecule inside the nanotube in the presence of water molecules when the initial separation between the nanotube and the fullerene is less than a critical distance. It is also demonstrated that the insertion process is strongly dependent upon the radius of the nanotubes and does not show a significant dependence upon the temperature or the length of the nanotubes. The study suggests possible bottom-up self-assembly of novel nanostructures like peapod (one or more fullerene molecules inside a carbon nanotube), which has great potential in the fields of nano-oscillator and futuristic quantum information processor.

引用

页码：365 / 368

页数：4

共 22 条

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[2]

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