Nanoscale Adv.
 2023
DOI: 10.1039/d3na00551h
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Perfect cubic metallo-borospherenes TM8B6 (TM = Ni, Pd, Pt) as superatoms following the 18-electron rule

Mei-Zhen Ao,
Yuan-Yuan Ma,
Yue-Wen Mu
et al.

Abstract: Transition-metal(TM)-doped metallo-borospherenes exhibit unique structures and bonding in chemistry which have received considerable attention in recent years. Based on extensive global minimum searches and first-principles theory calculations, we predict herein...

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