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Cited by 530

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

Diffusion, Coalescence, and Reconstruction of Vacancy Defects in Graphene Layers

Lee, Gun-Do, Wang, C. Z., Yoon, Euijoon, Hwang, Nong-Moon, Kim, Doh-Yeon, Ho, K. M.·2005·Physical Review Letters

Abstract

Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers are investigated by tight-binding molecular dynamics (TBMD) simulations and by first principles total energy calculations. It is observed in the TBMD simulations that two single vacancies coalesce into a 5-8-5 double vacancy at the temperature of 3000 K, and it is further reconstructed into a new defect structure, the 555-777 defect, by the Stone-Wales type transformation at higher temperatures. First principles calculations confirm that the 555-777 defect is energetically much more stable than two separated single vacancies, and the energy of the 555-777 defect is also slightly lower than that of the 5-8-5 double vacancy. In TBMD simulation, it is also found that the four single vacancies reconstruct into two collective 555-777 defects which is the unit for the hexagonal haeckelite structure proposed by Terrones et al. [Phys. Rev. Lett. 84, 1716 (2000)].

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Metadata

Authors
Lee, G.-D., Wang, C. Z., Yoon, E., Hwang, N.-M., Kim, D.-Y., & Ho, K. M.
Venue
Physical Review Letters
Published
2005-11-08
Volume
95
Issue
20
Pages
205501-205501
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2087665867
Cited by
530
References
1
FWCI
5.84
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Diffusion, Coalescence, and Reconstruction of Vacancy Defects in Graphene Layers. https://app.cochat.ai/papers/10.1103/physrevlett.95.205501
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Lee, G.-D., Wang, C. Z., Yoon, E., Hwang, N.-M., Kim, D.-Y., & Ho, K. M. (2005). Diffusion, Coalescence, and Reconstruction of Vacancy Defects in Graphene Layers. Physical Review Letters. https://doi.org/10.1103/physrevlett.95.205501

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