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- Publisher Website: 10.1016/j.physleta.2015.02.030
- Scopus: eid_2-s2.0-84925488106
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Article: Single vacancy defects diffusion at the initial stage of graphene growth: A first-principles study
Title | Single vacancy defects diffusion at the initial stage of graphene growth: A first-principles study |
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Authors | |
Keywords | Single vacancy defect Migration Graphene First-principles study |
Issue Date | 2015 |
Citation | Physics Letters, Section A: General, Atomic and Solid State Physics, 2015, v. 379, n. 18-19, p. 1270-1273 How to Cite? |
Abstract | © 2015 Elsevier B.V.All rights reserved. The migration of a single vacancy (SV) defect in graphene fragment (GF) has been investigated by density functional theory (DFT). The results revealed that a single vacancy defect is easy to migrate to the GF edge. The interaction between an SV and a five-numbered ring at the edge results in two neighboring five-membered rings finally, while the interaction between an SV and a seven-membered ring defect at the edge of the GF leads to a five-numbered ring and a neighbor seven-numbered ring. Our findings shed light upon understanding of the growth process of the graphene grain boundary. |
Persistent Identifier | http://hdl.handle.net/10722/262974 |
ISSN | 2021 Impact Factor: 2.707 2020 SCImago Journal Rankings: 0.499 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Du, H. B. | - |
dc.contributor.author | Jia, Y. | - |
dc.contributor.author | Sun, Q. | - |
dc.contributor.author | Guo, Z. X. | - |
dc.date.accessioned | 2018-10-08T09:28:58Z | - |
dc.date.available | 2018-10-08T09:28:58Z | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | Physics Letters, Section A: General, Atomic and Solid State Physics, 2015, v. 379, n. 18-19, p. 1270-1273 | - |
dc.identifier.issn | 0375-9601 | - |
dc.identifier.uri | http://hdl.handle.net/10722/262974 | - |
dc.description.abstract | © 2015 Elsevier B.V.All rights reserved. The migration of a single vacancy (SV) defect in graphene fragment (GF) has been investigated by density functional theory (DFT). The results revealed that a single vacancy defect is easy to migrate to the GF edge. The interaction between an SV and a five-numbered ring at the edge results in two neighboring five-membered rings finally, while the interaction between an SV and a seven-membered ring defect at the edge of the GF leads to a five-numbered ring and a neighbor seven-numbered ring. Our findings shed light upon understanding of the growth process of the graphene grain boundary. | - |
dc.language | eng | - |
dc.relation.ispartof | Physics Letters, Section A: General, Atomic and Solid State Physics | - |
dc.subject | Single vacancy defect | - |
dc.subject | Migration | - |
dc.subject | Graphene | - |
dc.subject | First-principles study | - |
dc.title | Single vacancy defects diffusion at the initial stage of graphene growth: A first-principles study | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1016/j.physleta.2015.02.030 | - |
dc.identifier.scopus | eid_2-s2.0-84925488106 | - |
dc.identifier.volume | 379 | - |
dc.identifier.issue | 18-19 | - |
dc.identifier.spage | 1270 | - |
dc.identifier.epage | 1273 | - |
dc.identifier.isi | WOS:000352173600014 | - |
dc.identifier.issnl | 0375-9601 | - |