Edges in bilayered h-BN: insights into the atomic structure
This study is devoted to the study of the edges of bilayered h-BN, whose atomic structure was previously generally unknown. It is shown that the edges tend to connect regardless of the edge cut. A defectless connection can be expected only in the case of a zigzag edge, while in other cases a series...
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Published in | Nanoscale Vol. 14; no. 38; pp. 14155 - 1416 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Cambridge
Royal Society of Chemistry
06.10.2022
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Subjects | |
Online Access | Get full text |
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Summary: | This study is devoted to the study of the edges of bilayered h-BN, whose atomic structure was previously generally unknown. It is shown that the edges tend to connect regardless of the edge cut. A defectless connection can be expected only in the case of a zigzag edge, while in other cases a series of tetragonal and octagonal defects will be formed. This result was obtained by carrying out an analogy between the edge of bilayered h-BN and the interface of monolayer h-BN. Information on the structure and energetics of closed edges allowed us to predict the shape of holes in h-BN, which agreed with the reference experimental data. Finally, it is shown that the closed edges do not create electronic states in the band gap, thus not changing the dielectricity of h-BN.
This work is devoted to the study of the edges of bilayered h-BN, whose atomic structure was previously generally unknown. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 2040-3364 2040-3372 |
DOI: | 10.1039/d2nr02818b |