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

Yingchun Cheng | Zendy; Zhu Zhang | Zendy; Udo Schwingenschlögl | Zendy

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

Author(s) -

Yingchun Cheng,

Zhu Zhang,

Udo Schwingenschlögl

Publication year - 2012

Publication title -

journal of materials chemistry

Language(s) - English

Resource type - Journals

eISSN - 1364-5501

pISSN - 0959-9428

DOI - 10.1039/c2jm34068b

Subject(s) - zigzag , graphene nanoribbons , ultimate tensile strength , materials science , graphene , tensile strain , enhanced data rates for gsm evolution , strain (injury) , density functional theory , composite material , condensed matter physics , nanotechnology , computational chemistry , geometry , chemistry , mathematics , medicine , telecommunications , computer science , physics

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

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