Effect of vacancy distribution on the relaxation properties of graphene: a molecular dynamics study

被引：5

作者：

Wu, Wenhu ^{[1
]}

Yin, Jiuren ^{[1
]}

Xie, Wei ^{[1
]}

Zhang, Wei ^{[1
]}

Wu, Bozhao ^{[1
]}

Jiang, Yong ^{[1
]}

Zhang, Ping ^{[1
]}

Ding, Yanhuai ^{[1
]}

机构：

[1] Xiangtan Univ, Inst Rheol Mech, Xiangtan 411105, Hunan, Peoples R China

来源：

MICRO & NANO LETTERS | 2015年 / 10卷 / 12期

基金：

美国国家科学基金会; 中国国家自然科学基金;

关键词：

vacancies (crystal); graphene; molecular dynamics method; nanoribbons; deformation; vacancy distribution effect; relaxation properties; graphene nanoribbons; molecular dynamics simulation; C; ELASTIC PROPERTIES; DEFECTS; SHEETS; SURFACES;

D O I：

10.1049/mnl.2015.0266

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Influence of vacancies on the relaxation properties of graphene nanoribbons has been investigated by molecular dynamics simulation in several nanometre sizes. Moreover, three factors including vacancy size, number and distribution are taken into consideration. The results show graphene nanoribbons present different kinds of deformation at different sites with various vacancy distributions. The effects of vacancy distributions on the relaxation properties of graphene nanoribbons are discussed.

引用

页码：693 / 695

页数：3

共 22 条

[1] Divacancies in graphene and carbon nanotubes [J].

Amorim, Rodrigo G. ;

Fazzio, A. ;

Antonelli, Alex ;

Novaes, Frederico D. ;

da Silva, Antonio J. R. .

NANO LETTERS, 2007, 7 (08) :2459-2462

[2] Structure and energetics of the vacancy in graphite [J].

El-Barbary, AA ;

Telling, RH ;

Ewels, CP ;

Heggie, MI ;

Briddon, PR .

PHYSICAL REVIEW B, 2003, 68 (14)

[3] The rise of graphene [J].

Geim, A. K. ;

Novoselov, K. S. .

NATURE MATERIALS, 2007, 6 (03) :183-191

[4] Molecular dynamics simulation of relaxation properties of graphene sheets [J].

Han Tong-Wei ;

He Peng-Fei .

ACTA PHYSICA SINICA, 2010, 59 (05) :3408-3413

[5] Atomic structure of graphene on SiO2 [J].

Ishigami, Masa ;

Chen, J. H. ;

Cullen, W. G. ;

Fuhrer, M. S. ;

Williams, E. D. .

NANO LETTERS, 2007, 7 (06) :1643-1648

[6] Formation of ion-irradiation-induced atomic-scale defects on walls of carbon nanotubes -: art. no. 245405 [J].

Krasheninnikov, AV ;

Nordlund, K ;

Sirviö, M ;

Salonen, E ;

Keinonen, J .

PHYSICAL REVIEW B, 2001, 63 (24)

[7] Adsorption and migration of carbon adatoms on carbon nanotubes:: Density-functional ab initio and tight-binding studies -: art. no. 073402 [J].

Krasheninnikov, AV ;

Nordlund, K ;

Lehtinen, PO ;

Foster, AS ;

Ayuela, A ;

Nieminen, RM .

PHYSICAL REVIEW B, 2004, 69 (07)

[8] Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers -: art. no. 205501 [J].

Lee, GD ;

Wang, CZ ;

Yoon, E ;

Hwang, NM ;

Kim, DY ;

Ho, KM .

PHYSICAL REVIEW LETTERS, 2005, 95 (20)

[9] Magnetic properties and diffusion of adatoms on a graphene sheet [J].

Lehtinen, PO ;

Foster, AS ;

Ayuela, A ;

Krasheninnikov, A ;

Nordlund, K ;

Nieminen, RM .

PHYSICAL REVIEW LETTERS, 2003, 91 (01)

[10] Nitrogen in graphite and carbon nanotubes: Magnetism and mobility [J].

Ma, YC ;

Foster, AS ;

Krasheninnikov, AV ;

Nieminen, RM .

PHYSICAL REVIEW B, 2005, 72 (20)

← 1 2 3 →