Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2012-10-01
Print Publication Date2012
Permanent link to this recordhttp://hdl.handle.net/10754/315767
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AbstractThe 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.
CitationCheng YC, Zhu ZY, Schwingenschlögl U (2012) Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction. J Mater Chem 22: 24676. doi:10.1039/c2jm34068b.
PublisherRoyal Society of Chemistry (RSC)
JournalJournal of Materials Chemistry