Journal
NANOSCALE
Volume 4, Issue 8, Pages 2580-2583Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2nr30185g
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Funding
- National Natural Science Foundation of China [20873066, 20835002]
- National Basic Research Program of China [2011CB935904]
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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.
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