Issue 8, 2012
From the journal:

Nanoscale

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

Yu Li,abc   Rui-Qin Zhang,*a   Zijing Lin*b  and  Michel A. Van Hove*a  

* Corresponding authors

a Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, China
E-mail: aprqz@cityu.edu.hk, vanhove@cityu.edu.hk

b Department of Physics, University of Science and Technology of China, Hefei, China
E-mail: zjlin@ustc.edu.cn

c USTC-CityU Joint Advanced Research Centre, Suzhou, China

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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Article information

DOI
https://doi.org/10.1039/C2NR30185G
Article type
Communication
Submitted
23 Jan 2012
Accepted
22 Feb 2012
First published
20 Mar 2012

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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