Mechanical failure of zigzag graphenenanoribbons under tensile strain induced by edge reconstruction,10.1039/C2JM34068B

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Mechanical failure of zigzag graphenenanoribbons under tensile strain induced by edge reconstruction

Y. C. Cheng,Z. Y. Zhu,U. Schwingenschlögl

Journal of Materials Chemistry Pub Date : 10/01/2012 00:00:00 , DOI:10.1039/C2JM34068B

Abstract

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.