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

Yingchun Cheng, Udo Schwingenschlögl, Zhiyong Zhu

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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.
Original languageEnglish (US)
Pages (from-to)24676
JournalJournal of Materials Chemistry
Issue number47
StatePublished - Oct 1 2012

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