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Spontaneous Rolling-up and Assembly of Graphene by Designing with Defects


The inverse Stone-Wales defect is a typical defect in graphene, which causes local bumps and local deformation in graphene sheets. From molecular dynamics simulations we demonstrate that the spontaneous rolling up of graphene sheet can be induced by orderly distributed inverse Stone-Wales defect bumps, when the defective graphene is cut into small size. This spontaneous process is mainly dominated by the defect density and tailored graphene size. When the tailored length is longer than the upper threshold length, graphene sews up as a curly one-dimensional structure: heart-shaped nanotube. For a medium length graphene (the length is in between of the lower threshold value and upper threshold value), the results reveal that the graphene finally curls into a completely or incompletely stitched nanotube similar to the cylindrical shell. This spontaneous process is produced by a high-frequency damped vibration accompanied by elastic and viscoelastic deformation in defective graphene. Thus, the properties of vibration are further investigated for the graphene of which the tailored length is shorter than the lower threshold length. This kind of graphene will gradually form a curved nanoribbon rather than the nanotube. It is also found that the bending rigidity of defective graphene is larger than that of pristine graphene.

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Publication details

The article was received on 11 Jan 2018, accepted on 26 Feb 2018 and first published on 26 Feb 2018

Article type: Paper
DOI: 10.1039/C8NR00286J
Citation: Nanoscale, 2018, Accepted Manuscript
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    Spontaneous Rolling-up and Assembly of Graphene by Designing with Defects

    Y. Wang and Z. Liu, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR00286J

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