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Issue 24, 2012
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Effect of defects on Young's modulus of graphene sheets: a molecular dynamics simulation

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Abstract

The effect of defects including vacancy and Stone–Wales (SW) defects on the Young's modulus of graphene sheets is investigated using molecular dynamic (MD) simulations. The simulations show that the presence of defects reduces the Young's modulus of graphene sheets and Young's modulus decreases with increasing degree of defects. In addition, the vacancy defects bring about a decrease in the Young's modulus, but their reconstruction is an important factor in stabilizing the modulus. Furthermore, we explore the Young's modulus of graphene with defects functionalized by hydrogen atoms and find that the hydrogenation of vacancy defects can increase the Young's modulus of the defective graphene but the hydrogenation of SW defects has the opposite effect.

Graphical abstract: Effect of defects on Young's modulus of graphene sheets: a molecular dynamics simulation

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Article information


Submitted
20 Jun 2012
Accepted
27 Jul 2012
First published
30 Jul 2012

RSC Adv., 2012,2, 9124-9129
Article type
Paper

Effect of defects on Young's modulus of graphene sheets: a molecular dynamics simulation

N. Jing, Q. Xue, C. Ling, M. Shan, T. Zhang, X. Zhou and Z. Jiao, RSC Adv., 2012, 2, 9124
DOI: 10.1039/C2RA21228E

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