First-Principles Study of Square-Octagon Lines Defects in Monolayer Hexagonal Boron Nitride
DC Field | Value | Language |
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dc.contributor.author | Jeong, Jinwoo | - |
dc.contributor.author | Yoon, Young-Gui | - |
dc.date.available | 2019-03-08T17:37:19Z | - |
dc.date.issued | 2015-06 | - |
dc.identifier.issn | 1555-130X | - |
dc.identifier.issn | 1555-1318 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/9534 | - |
dc.description.abstract | We study line square-octagon (4 vertical bar 8) defects in monolayer hexagonal boron nitride from first-principles. The defect formation energies are calculated both for symmetric and asymmetric defect structures. The calculated defect formation energies of the asymmetric defect structures, involving only the B-N bonds, are around 1.71 similar to 1.86 eV per 4 vertical bar 8 defect, whereas those of symmetric defect structures, involving all the B-N, B-B, and N-N bonds, are around 5.62 similar to 5.65 eV per 4 vertical bar 8 defect. The energy barrier for the slip of the BN atomic chain, calculated from the nudged elastic band method, is about 7.5 eV per 4 vertical bar 8 defect. | - |
dc.format.extent | 5 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | AMER SCIENTIFIC PUBLISHERS | - |
dc.title | First-Principles Study of Square-Octagon Lines Defects in Monolayer Hexagonal Boron Nitride | - |
dc.type | Article | - |
dc.identifier.doi | 10.1166/jno.2015.1761 | - |
dc.identifier.bibliographicCitation | JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS, v.10, no.3, pp 419 - 423 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.wosid | 000358931600024 | - |
dc.identifier.scopusid | 2-s2.0-84939495995 | - |
dc.citation.endPage | 423 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 419 | - |
dc.citation.title | JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS | - |
dc.citation.volume | 10 | - |
dc.type.docType | Article | - |
dc.publisher.location | 미국 | - |
dc.subject.keywordAuthor | BN | - |
dc.subject.keywordAuthor | Monolayer | - |
dc.subject.keywordAuthor | Defect | - |
dc.subject.keywordAuthor | Energy Barrier | - |
dc.subject.keywordAuthor | Energetics | - |
dc.relation.journalResearchArea | Engineering | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Engineering, Electrical & Electronic | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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