Auxetic properties of a newly proposed <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si26.svg"><mml:mrow><mml:mi>γ</mml:mi></mml:mrow></mml:math>-graphyne-like material

نویسندگان

چکیده

In this work, we propose a new auxetic (negative Poisson's ratio values) structure, based on $\gamma$-graphyne here named $A\gamma G$ $structure$. Graphynes are 2D carbon allotropes with phenylic rings connected by acetylenic groups. The A$\gamma$G structural/mechanical and electronic properties, as well its thermal stability, were investigated using classical reactive quantum molecular dynamics simulations. We found that has large bandgap of 2.48 eV is thermally stable at range temperatures. It presents Young's modulus an order magnitude smaller than graphene or $\gamma$-graphyne. results consistent validate the auxetic, both when isolated (vacuum) deposited copper substrate. believe densest structure belonging to graphyne-like families.

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ژورنال

عنوان ژورنال: Chemical Physics Letters

سال: 2022

ISSN: ['0009-2614', '1873-4448']

DOI: https://doi.org/10.1016/j.cplett.2021.139220