Energetics and dynamics of a new type of extended line defects in grapheneNanoscale (2012)
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.
Citation InformationYu Li, Rui-Qin Zhang, Zijing Lin and Michel A. Van Hove. "Energetics and dynamics of a new type of extended line defects in graphene" Nanoscale Vol. 4 Iss. 8 (2012) p. 2580 - 2583 ISSN: 20403372
Available at: http://works.bepress.com/mavanhove/104/