<p>Graphyne is a porous two-dimensional carbon allotrope of graphene that possesses interesting physical properties, including non-null bandgap. It is composed of carbon hexagonal rings or carbon–carbon bonds connected by acetylenic chains. The diverse forms of these connections yield a variety of graphyne structures. In a previous study, we have obtained the elastic properties of seven distinct families of graphyne structures as a function of the number of acetylene chains, from 1 to 10. The Young’s modulus, shear modulus, Poisson’s ratio and linear compressibility were predicted for the zigzag and armchair directions of all 70 graphyne structures. Here, we present some noteworthy findings regarding the angular dependence of these four elastic properties of asymmetric graphynes. Our results demonstrate that in a single structure, the minimum and maximum Young’s modulus can vary by a factor of 10. Additionally, the directions of null linear compressibility in some asymmetric structures were determined.</p> Graphical abstract <p>Angular dependence of the mechanical properties of one asymmetric graphyne. Each quadrant shows one mechanical property. Each quadrant shows curves in the angular range of 90 degrees corresponding to different sizes of acetylene chains in the graphyne structure.</p>

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Angular dependence of four mechanical properties of graphynes

  • Guilherme B. Kanegae,
  • Alexandre F. Fonseca

摘要

Graphyne is a porous two-dimensional carbon allotrope of graphene that possesses interesting physical properties, including non-null bandgap. It is composed of carbon hexagonal rings or carbon–carbon bonds connected by acetylenic chains. The diverse forms of these connections yield a variety of graphyne structures. In a previous study, we have obtained the elastic properties of seven distinct families of graphyne structures as a function of the number of acetylene chains, from 1 to 10. The Young’s modulus, shear modulus, Poisson’s ratio and linear compressibility were predicted for the zigzag and armchair directions of all 70 graphyne structures. Here, we present some noteworthy findings regarding the angular dependence of these four elastic properties of asymmetric graphynes. Our results demonstrate that in a single structure, the minimum and maximum Young’s modulus can vary by a factor of 10. Additionally, the directions of null linear compressibility in some asymmetric structures were determined.

Graphical abstract

Angular dependence of the mechanical properties of one asymmetric graphyne. Each quadrant shows one mechanical property. Each quadrant shows curves in the angular range of 90 degrees corresponding to different sizes of acetylene chains in the graphyne structure.