Abstract
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 B160 cluster stuffed by two B12 cores, which is energetically preferable over the bilayer structure of the same size. The unprecedented peanutlike structure with Ci symmetry has superior stability and exhibits superatomic electronic configuration and spherical aromaticity. Our theoretical work not only proposed the core-shell structure of dual icosahedrons for the first time but also indicated the multi-B12 core-shell structural pattern in boron particles, bridging to boron crystalline structures.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
