Conformation of graphene folding around single-walled carbon nanotubes
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The low bending rigidity of graphene facilitates the formation of folds into the structure. This curvature change affects the reactivity and electron transport of the sheet. One novel extension of this is the intercalation of small molecules into these folds. We construct a model incorporating a single-walled carbon nanotube into a sheet of folded graphene. Variational calculus techniques are employed to determine the minimum energy structure and the resulting curves are shown to agree well with molecular dynamics study.
KeywordsCarbon nanotubes Graphene Calculus of variations Elastic energy van der Waals force
The authors are grateful to A/Prof. James McCoy (University of Newcastle) for many helpful comments and suggestions. Thamwattana also acknowledges the support from the School of Mathematics and Applied Statistics at the University of Wollongong.
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