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Unprecedented Prediction of a B(160) Cluster Stuffed by Dual-Icosahedron B(12)

[Image: see text] Serving as the premise to understand bulk allotropes, boron clusters have been intriguing experimentalists and theoreticians to study their geometries and chemical bonding. Here, we designed a complete core–shell B(160) cluster stuffed by two B(12) cores, which is energetically pre...

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Detalles Bibliográficos
Autores principales: Sai, Linwei, Wu, Xue, Li, Fengyu, Zhao, Jingxiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9686204/
https://www.ncbi.nlm.nih.gov/pubmed/36440138
http://dx.doi.org/10.1021/acsomega.2c05918