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Title: Self-repairing in single-walled carbon nanotubes by heat treatment
Authors: Jiang, J.-W. 
Wang, J.-S. 
Issue Date: 1-Sep-2010
Citation: Jiang, J.-W., Wang, J.-S. (2010-09-01). Self-repairing in single-walled carbon nanotubes by heat treatment. Journal of Applied Physics 108 (5) : -. ScholarBank@NUS Repository.
Abstract: Structure transformation by heat treatment in single-walled carbon nanotubes (SWCNT) is investigated using molecular dynamics simulation. The critical temperature for the collapse of pure SWCNT is as high as 4655 K due to strong covalent carbon-carbon bonding. Above 2000 K, the cross section of SWCNT changes from circle to ellipse. The self-repairing capability is then investigated and two efficient processes are observed for the SWCNT to repair themselves. (1) In the first mechanism, vacancy defects aggregate to form a bigger hole, and a bottleneck junction is constructed nearby. (2) In the second mechanism, a local curvature is generated around the isolate vacancy to smooth the SWCNT. Benefit from the powerful self-repairing capability, defective SWCNT can seek a stable configuration at high temperatures; thus the critical temperature for collapse is insensitive to the vacancy defect density. © 2010 American Institute of Physics.
Source Title: Journal of Applied Physics
ISSN: 00218979
DOI: 10.1063/1.3481004
Appears in Collections:Staff Publications

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