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Issue 8, 2012
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Energetics and dynamics of a new type of extended line defects in graphene

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Abstract

We revealed a novel extended line defect (ELD) containing tetragonal rings embedded in graphene, formed as a growth fault, with its energetic and dynamic behavior studied via first-principles calculations. In our finding based upon the molecular dynamics simulation, transformation between locally stable ELDs in graphene at high temperatures simultaneously with contrastive electronic properties can be applied to predetermine the formation process and reconstruction of ELDs.

Graphical abstract: Energetics and dynamics of a new type of extended line defects in graphene

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Publication details

The article was received on 23 Jan 2012, accepted on 22 Feb 2012 and first published on 20 Mar 2012


Article type: Communication
DOI: 10.1039/C2NR30185G
Citation: Nanoscale, 2012,4, 2580-2583
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    Energetics and dynamics of a new type of extended line defects in graphene

    Y. Li, R. Zhang, Z. Lin and M. A. Van Hove, Nanoscale, 2012, 4, 2580
    DOI: 10.1039/C2NR30185G

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