Relating elasticity and graphene folding conformation

被引:21
作者
Cox, Barry J. [1 ]
Baowan, Duangkamon [2 ]
Bacsa, Wolfgang [3 ,4 ]
Hill, James M. [5 ]
机构
[1] Univ Adelaide, Sch Math Sci, Nanomech Grp, Adelaide, SA 5005, Australia
[2] Mahidol Univ, Fac Sci, Ctr Excellence Math, Dept Math,CHE, Bangkok 10400, Thailand
[3] CEMES CNRS, F-31055 Toulouse, France
[4] Univ Toulouse, F-31055 Toulouse, France
[5] Univ S Australia, Sch Informat Technol & Math Sci, Mawson Lakes, SA 5095, Australia
关键词
CARBON NANOTUBES; SHEETS; EDGES;
D O I
10.1039/c5ra08276e
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Variational calculus is employed to determine the folding behaviour of a single graphene sheet. Both the elastic and van der Waals energies are taken into account, and from these considerations the shape of the curve is determined. By prescribing that the separation distance between the folded graphene in the parallel region is 3.32 angstrom, an arbitrary constant arising by integrating the Euler-Lagrange equation is determined, and the full parametric representations for the folding conformation are derived. Using typical values of the bending rigidity in the range of 0.800-1.60 eV, the shortest stable folded graphene sheets are required to be at least 6.5-10 nm in length.
引用
收藏
页码:57515 / 57520
页数:6
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