| ATOMIC AND MOLECULAR PHYSICS |
|
|
|
|
Self-Healing of Stone–Wales Defects in Boron Nitride Monolayer by Irradiation: Ab Initio Molecular Dynamics Simulations |
| XUE Shu-Wen**, CHEN Jian, ZHANG Jun |
Department of Physics, Zhanjiang Normal College, Zhanjiang 524048
|
|
| Cite this article: |
|
XUE Shu-Wen, CHEN Jian, ZHANG Jun 2013 Chin. Phys. Lett. 30 103102 |
|
|
|
|
Abstract We show an effective method of healing the Stone–Wales (SW) defects through low energy electron irradiation using ab initio molecular dynamics simulation. The SW defects can be healed by irradiation through bond rotation. Although the healing energy shows an anisotropic behavior, it is lower than the displacement threshold energy. The healing of the SW defect through electron irradiation can be effectively used in other sp2-bonded materials.
|
|
|
Received: 26 June 2013
Published: 21 November 2013
|
|
| PACS: |
31.15.A-
|
(Ab initio calculations)
|
| |
61.72.Cc
|
(Kinetics of defect formation and annealing)
|
| |
61.80.Lj
|
(Atom and molecule irradiation effects)
|
|
|
|
|
|
[1] Si M S and Xue D S 2007 Phys. Rev. B 75 193409
[2] Golberg D, Bando Y, Huang Y, Terao T, Mitome M, Tang C C and Zhi C Y 2010 ACS Nano 4 2979
[3] Berthelot R, Carlier D and Delmas C 2011 Nat. Mater. 10 74
[4] Chen Y, Zou J, Campbell S J and Caer L G 2004 Appl. Phys. Lett. 84 2430
[5] Zeng H B, Zhi C Y, Zhang Z H, Wei X L, Wang X B, Guo W L, Bando Y and Golberg D 2010 Nano Lett. 10 5049
[6] Chen W, Li Y, Yu G, Li C Z, Zhang S B, Zhou Z and Chen Z 2010 J. Am. Chem. Soc. 132 1699
[7] Zhang Z, Zeng X C and Guo W 2011 J. Am. Chem. Soc. 133 14831
[8] Pacile D, Meyer J C, Girit C O and Zettl A 2008 Appl. Phys. Lett. 92 133107
[9] Chopra N G, Luyken R J, Cherrey K, V Crespi H, Cohen M L, Louie S G and Zettl A 1995 Science 269 966
[10] Dean C R, Young A F, Meric I, Lee C, Wang L, Sorgenfrei S, Watanabe K, Taniguchi T, Kim P, Shepard K L and Hone J 2010 Nat. Nanotechnol. 5 722
[11] Duan X F, Huang Y, Agarwal R and Lieber C M 2003 Nature 421 241
[12] Lee R S, Gavillet J, Chapelle de la M L, Loiseau A, Cochon J L, Pigache D, Thibault J and Willaime F 2001 Phys. Rev. B 64 121405(R)
[13] Orellana W and Chacham H 2001 Phys. Rev. B 63 125205
[14] Zobelli A, Ewels C P, Gloter A, Seifert G, Stephan O, Csillag S and Colliex C 2006 Nano Lett. 6 1955
[15] Bettinger H F, Dumitrica T, Scuseria G E and Yakobson B I 2002 Phys. Rev. B 65 041406(R)
[16] Piquini P, Baierle R J, Schmidt T M and Fazzio A 2005 Nanotechnology 16 827
[17] Fan Y M, Zhang X W, You J B, Ying J, Tan H R and Chen N F 2009 Chin. Phys. Lett. 26 056801
[18] Li J, Sun L Z and Zhong J X 2010 Chin. Phys. Lett. 27 077101
[19] Miyamoto Y, Rubio A, Berber S, Yoon M and Tomanek D 2004 Phys. Rev. B 69 121413(R)
[20] Li Y, Zhou Z, Golberg D, Bando Y, Schleyer P v R and Chen Z 2008 J. Phys. Chem. C 112 1365
[21] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[22] Soler J M, Artacho E, Gale J D, Garcia A, Junquera J, Ordejon P and Sanchez-Portal D 2002 J. Phys.: Condens. Matter 14 2745
[23] Troullier N and Martins J L 1991 Phys. Rev. B 43 1993
[24] Kotakoski J, Jin C H, Lehtinen O, Suenaga K and Krasheninnikov A V 2010 Phys. Rev. B 82 113404
[25] Mao F, Zhang C, Zhang Y W and Zhang F S 2012 Chin. Phys. Lett. 29 076101
[26] Wang S J, Zhang C L and Wang Z G 2010 Chin. Phys. Lett. 27 106101
[27] Wang Z G, Zhou Y G, Bang J, Prange M P, Zhang S B and Gao F 2012 J. Phys. Chem. C 116 16070
[28] Wamg Z G, Gao F, Li J B, Zu X T and Weber W J 2009 J. Appl. Phys. 106 084305
[29] Wang Z G, Gao F, Li J B, Zu X T and Weber W J 2009 Nanotechnology 20 075708
[30] Chen Y K, Liu L V and Wang Y A 2010 J. Phys. Chem. C 114 12382
[31] Li Y F, Zhou Z, Golberg D, Bando Y, Schleyer P V R and Chen Z F 2008 J. Phys. Chem. C 112 1365
[32] An W, Wu X J and Yang J L 2007 J. Phys. Chem. C 111 14105 |
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
