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Prediction of a Cyclic Hydrogenated Boron Molecule as a Promising Building Block for Borophane.
Ando, Yasunobu; Nakashima, Takeru; Yin, Heming; Tateishi, Ikuma; Zhang, Xiaoni; Tsujikawa, Yuki; Horio, Masafumi; Cuong, Nguyen Thanh; Okada, Susumu; Kondo, Takahiro; Matsuda, Iwao.
Afiliação
  • Ando Y; CD-FMat, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8560, Ibaraki, Japan.
  • Nakashima T; CD-FMat, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8560, Ibaraki, Japan.
  • Yin H; Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Chiba, Japan.
  • Tateishi I; RIKEN Center for Emergent Matter Science, Wako 351-0198, Saitama, Japan.
  • Zhang X; Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Chiba, Japan.
  • Tsujikawa Y; Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Chiba, Japan.
  • Horio M; Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Chiba, Japan.
  • Cuong NT; Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Ibaraki, Japan.
  • Okada S; Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Ibaraki, Japan.
  • Kondo T; Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Ibaraki, Japan.
  • Matsuda I; Institute for Solid State Physics, The University of Tokyo, Kashiwa 277-8581, Chiba, Japan.
Molecules ; 28(3)2023 Jan 26.
Article em En | MEDLINE | ID: mdl-36770892
ABSTRACT
We have extensively searched for a cyclic hydrogenated boron molecule that has a three-center two-electron bond at the center. Using first-principles calculations, we discovered a stable molecule of 2468-2H-1,51,5-µH-B8H10 and propose its existence. This molecule can be regarded as a building block for sheets of topological hydrogen boride (borophane), which was recently theoretically proposed and experimentally discovered. The electronic structure of the cyclic hydrogenated boron molecule is discussed in comparison with that of cyclic hydrogenated carbon molecules.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Japão
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Japão