Thermal conductivity of functionalized single-wall carbon nanotubes

被引：26
|
作者：
Pan, Ruiqin [1 ]
Xu, Zijian
Zhu, Zhiyuan
Wang, Zhenxia
机构：
[1] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China
[2] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
来源：
NANOTECHNOLOGY | 2007年 / 18卷 / 28期
关键词：
D O I：
10.1088/0957-4484/18/28/285704
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The thermal conductivity at 300 K of (10, 0) single-wall carbon nanotubes (SWNTs) that have been functionalized by chemical attachment of hydrogen atoms is studied by a nonequilibrium molecular dynamics (MD) method with Brenner II potential. The system exhibits a drop in thermal conductivity with functionalization. When 5% of nanotube carbon atoms are hydrogenated, the thermal conductivity is reduced by about a factor of 1.5. To clarify this effect the phonon spectra of the nanotubes are investigated.
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页数：4
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