Adsorption and migration of carbon adatoms on zigzag carbon nanotubes

被引：48

作者：

Krasheninnikov, AV

Nordlund, K

Lehtinen, PO

Foster, AS

Ayuela, A

Nieminen, RM

机构：

[1] Univ Helsinki, Accelerator Lab, FIN-00014 Helsinki, Finland

[2] Aalto Univ, Phys Lab, Helsinki 02015, Finland

来源：

CARBON | 2004年 / 42卷 / 5-6期

关键词：

carbon nanotubes; ion irradiation; electron irradiation; defect annealing;

D O I：

10.1016/j.carbon.2003.12.025

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using density-functional tight-binding and ab initio methods we study the adsorption and migration of carbon adatoms on surfaces of single-walled zigzag carbon nanotubes. We demonstrate that the adatoms form strong covalent bonds with the nanotubes and that the migration is strongly anisotropic. The adatom adsorption energy and migration barrier depend on the nanotube diameter and chirality. The migration barriers, being in the range of 0.6-1 eV, are in a good agreement with the experimental values (about 0.8 eV) reported in the literature. (C) 2003 Elsevier Ltd. All rights reserved.

引用

页码：1021 / 1025

页数：5

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