BaZn<sub>2</sub>(HPO<sub>3</sub>)<sub>3</sub>: A New Barium Zincophosphite with Short Ultraviolet Cutoff Edge
A new barium zincophosphite BaZn 2 (HPO 3 ) 3 is obtained via a simple hydrothermal reaction. BaZn 2 (HPO 3 ) 3 crystallizes in the P space group and exhibits a novel 3D crystal structure. It possesses a short ultraviolet cutoff edge of 205 nm, corresponding to a large experimental bandgap of 5.55 eV. BaZn 2 (HPO 3 ) 3 also has good thermal stability. This present work provides a comprehensive characterization of its crystal structure and optical properties. Additionally, first‐principles calculations are employed to analyze the structure–activity relationship of BaZn 2 (HPO 3 ) 3 .
Authors
- Anhua Gong
- Yueling Sun
Institutions
- Yangzhou Polytechnic Institute (CN)
Publication Details
- Journal
- European Journal of Inorganic Chemistry
- Published
- 2025-08-27
- DOI
- https://doi.org/10.1002/ejic.202500375
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00