期刊
JOURNAL OF PHYSICS D-APPLIED PHYSICS
卷 42, 期 10, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0022-3727/42/10/102002
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资金
- US Department of Energy [DE-FG02-05ER46230]
- Ministerio de Ciencia e Innovacion [DPI2007-61054]
- Generalitat de Catalunya
An analytic formula is derived for the elastic bending modulus of monolayer graphene based on an empirical potential for solid-state carbon atoms. Two physical origins are identified for the non-vanishing bending stiffness of the atomically thin graphene sheet, one due to the bond-angle effect and the other resulting from the bond-order term associated with the dihedral angles. The analytical prediction compares closely with ab initio energy calculations. Pure bending of graphene monolayers into cylindrical tubes is simulated by a molecular mechanics approach, showing slight nonlinearity and anisotropy in the tangent bending modulus as the bending curvature increases. An intrinsic coupling between bending and in-plane strain is noted for graphene monolayers rolled into carbon nanotubes.
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