B <sub>92</sub> : a complete coating icosahedral B <sub>12</sub> core–shell structure
Using first-principles calculations, this study unveils a spherically aromatic core-shell B<sub>12</sub>@B<sub>80</sub> structure featuring a B<sub>12</sub> icosahedral core, which is the smallest complete coating icosahedral B<sub>12</sub> core-shell B<sub><i>n</i></sub> cluster to date. Detailed orbital and bonding analyses reveal that the icosahedral B<sub>12</sub> core exhibits prominent superatomic behavior with the electronic configuration 1S<sup>2</sup>1P<sup>6</sup>1D<sup>10</sup>1F<sup>8</sup>.
Authors
- Jingjing Guo (ORCID: https://orcid.org/0000-0002-4632-4364)
- Jing Wang (ORCID: https://orcid.org/0000-0002-3909-5743)
- Yi-Sha Chen
- Pengbo Liu (ORCID: https://orcid.org/0000-0003-4810-0388)
- Hui‐Yan Zhao (ORCID: https://orcid.org/0000-0001-8548-9906)
- Ying Liu (ORCID: https://orcid.org/0000-0002-7164-962X)
Institutions
- Chinese Academy of Sciences (CN)
- Institute of Semiconductors (CN)
- Hebei Normal University (CN)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2024-11-11
- DOI
- https://doi.org/10.1039/d4cp03471f
- Citations
- 1
- Primary Topic
- Tissue Engineering and Regenerative Medicine
- Type
- article
- Field-Weighted Citation Impact
- 0.57
Funders
- National Natural Science Foundation of China
- Hebei Normal University
- Natural Science Foundation of Hebei Province
- Hebei Province Science and Technology Support Program