Young's Modulus and Poisson's Ratio of Monolayer Graphyne

被引：5

作者：

Ansari, R. ^{[1
]}

Mirnezhad, M. ^{[1
]}

Rouhi, H. ^{[1
]}

Faghihnasiri, M. ^{[2
]}

机构：

[1] Univ Guilan, Dept Mech Engn, POB 3756, Rasht, Iran

[2] Univ Guilan, Dept Phys, Rasht, Iran

来源：

JOURNAL OF NANOSTRUCTURES | 2013年 / 3卷 / 03期

关键词：

Graphyne; Elastic properties; Density functional theory;

D O I：

10.7508/jns.2013.03.005

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Despite its numerous potential applications, two-dimensional monolayer graphyne, a novel form of carbon allotropes with sp and sp(2) carbon atoms, has received little attention so far, perhaps as a result of its unknown properties. Especially, determination of the exact values of its elastic properties can pave the way for future studies on this nanostructure. Hence, this article describes a density functional theory (DFT) investigation into elastic properties of graphyne including surface Young's modulus and Poisson's ratio. The DFT analyses are performed within the framework of generalized gradient approximation (GGA), and the Perdew-Burke-Ernzerhof (PBE) exchange correlation is adopted. This study indicates that the elastic modulus of graphyne is approximately half of that of graphene due to its lower number of bonds. 2013 JNS All rights reserved

引用

页码：303 / 307

页数：5

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