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

作者：Fan B B; Yang X B; Zhang R^*

来源：Physics Letters, Section A: General, Atomic and Solid State Physics , 2010, 374(27): 2781-2784.

DOI：10.1016/j.physleta.2010.04.066

We investigate the mechanical properties of graphene monolayer via the density functional theoretical (OFT) 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.

• 出版日期2010-6-14
• 单位华南理工大学; 郑州大学; 郑州航空工业管理学院