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Anisotropic mechanical properties and Stone–Wales defects in graphene monolayer: A theoretical study

Authors
Journal
Physics Letters A
0375-9601
Publisher
Elsevier
Publication Date
Volume
374
Issue
27
Identifiers
DOI: 10.1016/j.physleta.2010.04.066
Keywords
  • Condensed Matter

Abstract

Abstract We investigate the mechanical properties of graphene monolayer via the density functional theoretical (DFT) method. We find that the strain energies are anisotropic for the graphene under large strain. We attribute the anisotropic feature to the anisotropic sp 2 hybridization in the hexagonal lattice. We further identify that the formation energies of Stone–Wales (SW) defects in the graphene monolayer are determined by the defect concentration and also the direction of applied tensile strain, correlating with the anisotropic feature.

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