Strain-activated edge reconstruction of graphene nanoribbons

Handle URI:
http://hdl.handle.net/10754/315773
Title:
Strain-activated edge reconstruction of graphene nanoribbons
Authors:
Cheng, Yingchun; Han, Yu ( 0000-0003-1462-1118 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Wang, H. T.; Zhang, Xixiang ( 0000-0002-3478-6414 ) ; Zhu, Y. H.; Zhu, Zhiyong
Abstract:
The edge structure and width of graphene nanoribbons (GNRs) are crucial factors for the electronic properties. A combination of experiment and first-principles calculations allows us to determine the mechanism of the hexagon-hexagon to pentagon-heptagon transformation. GNRs thinner than 2 nm have been fabricated by bombardment of graphene with high-energetic Au clusters. The edges of the GNRs are modified in situ by electron irradiation. Tensile strain along the edge decreases the transformation energy barrier. Antiferromagnetism and a direct band gap are found for a zigzag GNR, while a fully reconstructed GNR shows an indirect band gap. A GNR reconstructed on only one edge exhibits ferromagnetism. We propose that strain is an effective method to tune the edge and, therefore, the electronic structure of thin GNRs for graphene-based electronics.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Cheng YC, Wang HT, Zhu ZY, Zhu YH, Han Y, et al. (2012) Strain-activated edge reconstruction of graphene nanoribbons. Phys Rev B 85. doi:10.1103/PhysRevB.85.073406.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
17-Feb-2012
DOI:
10.1103/PhysRevB.85.073406
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.85.073406
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.authorHan, Yuen
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorWang, H. T.en
dc.contributor.authorZhang, Xixiangen
dc.contributor.authorZhu, Y. H.en
dc.contributor.authorZhu, Zhiyongen
dc.date.accessioned2014-04-13T14:03:36Z-
dc.date.available2014-04-13T14:03:36Z-
dc.date.issued2012-02-17en
dc.identifier.citationCheng YC, Wang HT, Zhu ZY, Zhu YH, Han Y, et al. (2012) Strain-activated edge reconstruction of graphene nanoribbons. Phys Rev B 85. doi:10.1103/PhysRevB.85.073406.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.85.073406en
dc.identifier.urihttp://hdl.handle.net/10754/315773en
dc.description.abstractThe edge structure and width of graphene nanoribbons (GNRs) are crucial factors for the electronic properties. A combination of experiment and first-principles calculations allows us to determine the mechanism of the hexagon-hexagon to pentagon-heptagon transformation. GNRs thinner than 2 nm have been fabricated by bombardment of graphene with high-energetic Au clusters. The edges of the GNRs are modified in situ by electron irradiation. Tensile strain along the edge decreases the transformation energy barrier. Antiferromagnetism and a direct band gap are found for a zigzag GNR, while a fully reconstructed GNR shows an indirect band gap. A GNR reconstructed on only one edge exhibits ferromagnetism. We propose that strain is an effective method to tune the edge and, therefore, the electronic structure of thin GNRs for graphene-based electronics.en
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.85.073406en
dc.rightsArchived with thanks to Physical Review Ben
dc.titleStrain-activated edge reconstruction of graphene nanoribbonsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionInstitute of Applied Mechanics, Zhejiang University, Hangzhou 310027, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorCheng, Yingchunen
kaust.authorZhu, Zhiyongen
kaust.authorZhu, Yihanen
kaust.authorHan, Yuen
kaust.authorZhang, Xixiangen
kaust.authorSchwingenschlögl, Udoen
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