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

Y. C. Cheng; Z. Y. Zhu; U. Schwingenschloegl

doi:10.1039/c2jm34068b

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

Journal article

Peer reviewed

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

Y. C. Cheng, Z. Y. Zhu and U. Schwingenschloegl

Journal of materials chemistry, Vol.22(47), pp.24676-24680

01/01/2012

DOI: https://doi.org/10.1039/c2jm34068b

Abstract

Chemistry

Chemistry, Physical

Materials Science

Materials Science, Multidisciplinary

Physical Sciences

Science & Technology

Technology

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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Title: Mechanical failure of zigzag graphene nanoribbons under tensile strain induced by edge reconstruction
Creators - without role: Y. C. Cheng - King Abdullah University of Science and Technology
Z. Y. Zhu - King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia
U. Schwingenschloegl - King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia
Publication Details: Journal of materials chemistry, Vol.22(47), pp.24676-24680
Publisher: Royal Soc Chemistry
Number of pages: 5
Identifiers: 9945125308331
Academic Unit: King Abdullah University of Science & Technology
Language: English
Resource Type: Journal article