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Spiro-graphene: A two-dimensional metallic carbon allotrope of fused pentagons
http://hdl.handle.net/2241/0002001822
http://hdl.handle.net/2241/000200182219371970-aece-44db-bb05-2130fde9a3fe
名前 / ファイル | ライセンス | アクション |
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CARBON_185-404.pdf (2.6 MB)
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Item type | Journal Article(1) | |||||||
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公開日 | 2021-11-09 | |||||||
タイトル | ||||||||
言語 | en | |||||||
タイトル | Spiro-graphene: A two-dimensional metallic carbon allotrope of fused pentagons | |||||||
言語 | ||||||||
言語 | eng | |||||||
資源タイプ | ||||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||||
タイプ | journal article | |||||||
アクセス権 | ||||||||
アクセス権 | open access | |||||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||
著者 |
岡田, 晋
× 岡田, 晋× Cuong, Nguyen Thanh
× 高, 燕林× 丸山, 実那 |
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抄録 | ||||||||
内容記述タイプ | Abstract | |||||||
内容記述 | Using density functional theory with the generalized gradient approximation, we explored the geometric and electronic structure of polymerized spiro [4,4]nonatetraene (spiro-graphene) as a possible two-dimensional carbon allotrope comprising sp2 and sp3 C atoms. By reflecting a shape of the hydrocarbon molecule, this two-dimensional allotrope has a covalent network of fused pentagons with nanometer-scale structural rippling. The covalent network is thermally and dynamically stable with a relatively high total energy, higher than graphene by 0.6 eV/atom. The spiro-graphene is a metal where two linear dispersion bands cross each other at the Fermi level. In addition to these linear dispersion bands, the covalent network possesses the Dirac nodal line just above the Fermi level and along the Brillouin zone boundary. Accordingly, the ribbons with zigzag edges derived from spiro-graphene possess edge states like those of graphene nanoribbons with zigzag edges. | |||||||
言語 | en | |||||||
書誌情報 |
en : Carbon 巻 185, p. 404-409, 発行日 2021-11-15 |
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ISSN | ||||||||
収録物識別子タイプ | PISSN | |||||||
収録物識別子 | 0008-6223 | |||||||
書誌レコードID | ||||||||
収録物識別子タイプ | NCID | |||||||
収録物識別子 | AA00598943 | |||||||
DOI | ||||||||
関連タイプ | isVersionOf | |||||||
識別子タイプ | DOI | |||||||
関連識別子 | https://doi.org/10.1016/j.carbon.2021.09.033 | |||||||
権利 | ||||||||
言語 | en | |||||||
権利情報 | ©2021. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/ | |||||||
著者版フラグ | ||||||||
値 | author | |||||||
出版者 | ||||||||
言語 | en | |||||||
出版者 | Elsevier |