Molecular dynamics study on welding a defected graphene by a moving fullerene

Cai, K, Wan, J, Yu, J, Cai, H and Qin, Q 2016, 'Molecular dynamics study on welding a defected graphene by a moving fullerene', Applied Surface Science, vol. 377, pp. 213-220.


Document type: Journal Article
Collection: Journal Articles

Title Molecular dynamics study on welding a defected graphene by a moving fullerene
Author(s) Cai, K
Wan, J
Yu, J
Cai, H
Qin, Q
Year 2016
Journal name Applied Surface Science
Volume number 377
Start page 213
End page 220
Total pages 8
Publisher Elsevier BV * North-Holland
Abstract When a composite nanostructure is fabricated through van der Waals interaction only, the interaction among components may be sensitive to environmental conditions. To endow such a structure with relative stability, new covalent bonds should be applied. In this paper, a welding method for welding a circular graphene with a defect gap through a moving fullerene (C240 or C540 buckyball) is presented. When the buckyball moves above the gap, the two faces of the gap are attracted to each other and the distance between the two faces is shortened. When the dangling carbon atoms on both faces of the gap are excited to form new normal sp 2 -sp 2 carbon bonds, the gap can be sewn up quickly. Molecular dynamics simulations are presented to demonstrate the welding process. When the gap is a sector, an ideal cone can be fabricated using the present method.
Subject Nanofabrication, Growth and Self Assembly
Keyword(s) Carbon nanostructure
Fullerene
Graphene
Molecular dynamics
Nanowelding
DOI - identifier 10.1016/j.apsusc.2016.03.163
Copyright notice © 2016 Elsevier B.V.
ISSN 0169-4332
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