期刊
JOURNAL OF MATERIALS CHEMISTRY
卷 22, 期 47, 页码 24676-24680出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2jm34068b
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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.
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