Mechanical properties of graphene nanoribbons

被引：184

作者：

Faccio, Ricardo ^{[1
,2
]}

Denis, Pablo A.

Pardo, Helena ^{[1
,2
]}

Goyenola, Cecilia ^{[1
,2
]}

Mombru, Alvaro W. ^{[1
,2
]}

机构：

[1] Univ Republica, Fac Quim, Crystallog Solid State & Mat Lab Cryssmat Lab, DETEMA, Montevideo 11800, Uruguay

[2] Univ Republ, Fac Quim, Ctr NanoMat, Pando, Canelones, Uruguay

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 28期

关键词：

WALL CARBON NANOTUBES; ELASTIC PROPERTIES; AB-INITIO; COMPRESSION; MODULUS;

D O I：

10.1088/0953-8984/21/28/285304

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of +/- 0.02%. The mechanical properties show a linear response within that range while a nonlinear dependence is found for higher strain. The most relevant results indicate that Young's modulus is considerable higher than those determined for graphene and carbon nanotubes. The geometrical reconstruction of the C-C bonds at the edges hardens the nanostructure. The features of the electronic structure are not sensitive to strain in this linear elastic regime, suggesting the potential for using carbon nanostructures in nano-electronic devices in the near future.

引用

页数：7