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

Handle URI:
http://hdl.handle.net/10754/315767
Title:
Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction
Authors:
Cheng, Yingchun; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Zhu, Zhiyong
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Cheng 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.
Publisher:
Royal Society of Chemistry
Journal:
Journal of Materials Chemistry
Issue Date:
1-Oct-2012
DOI:
10.1039/c2jm34068b
Type:
Article
ISSN:
0959-9428; 1364-5501
Additional Links:
http://xlink.rsc.org/?DOI=c2jm34068b
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorZhu, Zhiyongen
dc.date.accessioned2014-04-13T12:48:04Z-
dc.date.available2014-04-13T12:48:04Z-
dc.date.issued2012-10-01en
dc.identifier.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.en
dc.identifier.issn0959-9428en
dc.identifier.issn1364-5501en
dc.identifier.doi10.1039/c2jm34068ben
dc.identifier.urihttp://hdl.handle.net/10754/315767en
dc.description.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.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.relation.urlhttp://xlink.rsc.org/?DOI=c2jm34068ben
dc.rightsArchived with thanks to Journal of Materials Chemistryen
dc.titleMechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstructionen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalJournal of Materials Chemistryen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Physics, South China University of Technology, Guangzhou 510640, Chinaen
dc.contributor.institutionDepartment of Physics and Electronic Sciences, Hunan University of Arts and Science, Changde 415000, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorCheng, Yingchunen
kaust.authorZhu, Zhiyongen
kaust.authorSchwingenschlögl, Udoen
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