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

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)2580-2583
Journal / PublicationNanoscale
Volume4
Issue number8
Publication statusPublished - 21 Apr 2012

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. © 2012 The Royal Society of Chemistry.

Citation Format(s)

Energetics and dynamics of a new type of extended line defects in graphene. / Li, Yu; Zhang, Rui-Qin; Lin, Zijing; Van Hove, Michel A.

In: Nanoscale, Vol. 4, No. 8, 21.04.2012, p. 2580-2583.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review