Issue 46, 2022

KSb(BeF3)F3: a totally fluorine strategy for achieving wide bandgap and large birefringence

Abstract

Herein, a novel antimony fluoroberyllate, KSb(BeF3)F3, exhibiting a distinctive 1D [BeF3] polyanion chain, has been successfully synthesized using a totally fluorine strategy. Innovatively, by introducing a Be–F bond with a large electronegativity difference and completely eliminating the suspended oxygen atoms in the structure, KSb(BeF3)F3 exhibits a large optical bandgap (5.3 eV). Furthermore, KSb(BeF3)F3 shows a large birefringence (0.11@546 nm), larger than that of other reported alkali/alkaline earth metal oxysalts with tetrahedral units only, showing that the reported compound is a potential practical short-wave ultraviolet birefringent material. First principles theoretical studies reveal that the excellent properties originate from the cooperation of the 1D infinite [BeF3] polyanion chains and SbF6 octahedra. The totally fluorine strategy we adopted not only resulted in a novel structure, which facilitated the diversification of structural types of the antimony-based materials, but also achieved the bandgap tuning of the materials.

Graphical abstract: KSb(BeF3)F3: a totally fluorine strategy for achieving wide bandgap and large birefringence

Supplementary files

Article information

Article type
Paper
Submitted
29 Sep 2022
Accepted
28 Oct 2022
First published
28 Oct 2022

J. Mater. Chem. C, 2022,10, 17577-17582

KSb(BeF3)F3: a totally fluorine strategy for achieving wide bandgap and large birefringence

X. Dong, Y. Long, L. Huang, L. Cao, D. Gao, J. Bi and G. Zou, J. Mater. Chem. C, 2022, 10, 17577 DOI: 10.1039/D2TC04112J

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