The effects of vacancy defects and nitrogen doping on the thermal conductivity of armchair (10,10) single-wall carbon nanotubes

被引：12

作者：

Chien, Shih-Kai ^{[1
]}

Yang, Yue-Tzu ^{[1
]}

Chen, Cha'o-Kuang ^{[1
]}

机构：

[1] Natl Cheng Kung Univ, Dept Mech Engn, Tainan, Taiwan

来源：

SOLID STATE COMMUNICATIONS | 2011年 / 151卷 / 14-15期

关键词：

Carbon nanotubes; Nanostructures; Thermal conductivity; Phonons; MOLECULAR-DYNAMICS; CONDUCTANCE; TRANSPORT;

D O I：

10.1016/j.ssc.2011.04.025

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The influence of vacancy defects and nitrogen doping on the thermal conductivity of typical armchair (10, 10) single-walled carbon nanotubes is investigated using molecular dynamics (MD) simulation. The second-generation reactive empirical bond order potential and Tersoff potential are used to describe the interatomic interactions and the thermal conductivities are calculated using the Muller-Plathe approach (also called non-equilibrium MD simulation). Vacancy defects decrease the thermal conductivity whereas the substitution of nitrogen at vacancy sites improves the thermal conductivity. Quantum correction of the calculated results produces a thermal conductance temperature dependence that is in qualitative agreement with experimental data. (C) Crown Copyright 2011 Published by Elsevier Ltd. All rights reserved.

引用

页码：1004 / 1008

页数：5

共 30 条

[1] The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulations [J].

Alaghemandi, Mohammad ;

Algaer, Elena ;

Boehm, Michael C. ;

Mueller-Plathe, Florian .

NANOTECHNOLOGY, 2009, 20 (11)

[2]

[Anonymous], 2000, HDB CHEM PHYS

[3] Unusually high thermal conductivity of carbon nanotubes [J].

Berber, S ;

Kwon, YK ;

Tománek, D .

PHYSICAL REVIEW LETTERS, 2000, 84 (20) :4613-4616

[4] A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].

Brenner, DW ;

Shenderova, OA ;

Harrison, JA ;

Stuart, SJ ;

Ni, B ;

Sinnott, SB .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802

[5] Nanoscale thermal transport [J].

Cahill, DG ;

Ford, WK ;

Goodson, KE ;

Mahan, GD ;

Majumdar, A ;

Maris, HJ ;

Merlin, R ;

Phillpot, SR .

JOURNAL OF APPLIED PHYSICS, 2003, 93 (02) :793-818

[6] Electronic Transport and Mechanical Properties of Phosphorus- and Phosphorus-Nitrogen-Doped Carbon Nanotubes [J].

Cruz-Silva, Eduardo ;

Lopez-Urias, Florentino ;

Munoz-Sandoval, Emilio ;

Sumpter, Bobby G. ;

Terrones, Humberto ;

Charlier, Jean-Christophe ;

Meunier, Vincent ;

Terrones, Mauricio .

ACS NANO, 2009, 3 (07) :1913-1921

[7] COMPUTER SIMULATION OF LATTICE DYNAMICS OF SOLIDS [J].

DICKEY, JM ;

PASKIN, A .

PHYSICAL REVIEW, 1969, 188 (03) :1407-+

[8]

Dresselhaus M. S., 2000, PROPERTIES APPL

[9] Thermal conductivity of single-walled carbon nanotubes [J].

Hone, J ;

Whitney, M ;

Piskoti, C ;

Zettl, A .

PHYSICAL REVIEW B, 1999, 59 (04) :R2514-R2516

[10] HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].

IIJIMA, S .

NATURE, 1991, 354 (6348) :56-58

← 1 2 3 →