Theoretical prediction of superatomic orbitals in spherical trihedral metallo-borospherenes Be3B12+1/+2

Superatomic molecular orbitals (SAMOs) have attracted particular attention due to the efficient overlapping of electronic wave functions between adjacent molecules, a key factor for enhancing charge transfer in molecular materials. Inspired by the recently discovered spherical trihedral metallo-boro...

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Bibliographic Details
Main Authors: Lijuan Yan, Jun Liu, Jianmei Shao, Yuanzheng Luo, Wenqing Shi
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Results in Physics
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379722007835