Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction

被引：11
作者：
Cheng, Y. C. [1 ]
Zhu, Z. Y. [1 ]
Schwingenschloegl, U. [1 ]
机构：
[1] King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia
来源：
JOURNAL OF MATERIALS CHEMISTRY | 2012年 / 22卷 / 47期
关键词：
INTRINSIC STRENGTH; ELASTIC PROPERTIES;
D O I：
10.1039/c2jm34068b
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The structural and mechanical properties of graphene nanoribbons (GNRs) under uniaxial tensile strain are studied by density functional theory. The ideal strength of a zigzag GNR (120 GPa) is close to that of pristine graphene. However, for a GNR with both edges reconstructed to pentagon-heptagon pairs (from hexagon-hexagon pairs) it decreases to 94 GPa and the maximum tensile strain is reduced to 15%. Our results constitute a comprehensive picture of the edge structure effect on the mechanical properties of GNRs.
引用
收藏
页码：24676 / 24680
页数：5
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