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Electronic and Magnetic Structures of New Interstitial Boron Sub-Oxides B(12)O(2):X (X = B, C, N, O)

The boron-rich boron sub-oxide rhombohedral B(6)O considered in B(12)O(2) full formulation has a large O-O spacing of ~3 Å and a central vacant position that can receive interstitial atoms X, forming a central O-X-O alignment in the dodecaboron cage as observed in well-known triatomic B(12) compound...

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Bibliographic Details
Main Authors: Matar, Samir F., Etourneau, Jean
Format: Online Article Text
Language:English
Published: MDPI 2020
Subjects:
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795783/
https://www.ncbi.nlm.nih.gov/pubmed/33383899
http://dx.doi.org/10.3390/molecules26010123