Chin. Phys. Lett.  2013, Vol. 30 Issue (10): 103102    DOI: 10.1088/0256-307X/30/10/103102
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
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XUE Shu-Wen, CHEN Jian, ZHANG Jun 2013 Chin. Phys. Lett. 30 103102
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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)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/30/10/103102       OR      https://cpl.iphy.ac.cn/Y2013/V30/I10/103102
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XUE Shu-Wen
CHEN Jian
ZHANG Jun
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