BaZn2(HPO3)3：一种具有短紫外截止边的新型磷酸锌钡

IF 2 4区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

European Journal of Inorganic Chemistry Pub Date : 2025-08-27 DOI:10.1002/ejic.202500375

Yue-Ling Sun, An-Hua Gong

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引用次数: 0

摘要

采用简单的水热反应法制备了一种新型钡锌磷酸酯BaZn2(HPO3)3。BaZn2(HPO3)3在P空间群中结晶，呈现出新颖的三维晶体结构。它具有205 nm的短紫外截止边，对应于5.55 eV的大实验带隙。BaZn2(HPO3)3也具有良好的热稳定性。本文对其晶体结构和光学性质进行了全面的表征。此外，利用第一性原理计算分析了BaZn2(HPO3)3的构效关系。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

BaZn2(HPO3)3: A New Barium Zincophosphite with Short Ultraviolet Cutoff Edge

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BaZn2(HPO3)3: A New Barium Zincophosphite with Short Ultraviolet Cutoff Edge

A new barium zincophosphite BaZn₂(HPO₃)₃ is obtained via a simple hydrothermal reaction. BaZn₂(HPO₃)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. BaZn₂(HPO₃)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 BaZn₂(HPO₃)₃.

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来源期刊

European Journal of Inorganic Chemistry 化学-无机化学与核化学

CiteScore

4.30

自引率

4.30%

发文量

419

审稿时长

1.3 months

期刊介绍： The European Journal of Inorganic Chemistry (2019 ISI Impact Factor: 2.529) publishes Full Papers, Communications, and Minireviews from the entire spectrum of inorganic, organometallic, bioinorganic, and solid-state chemistry. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. The following journals have been merged to form the two leading journals, European Journal of Inorganic Chemistry and European Journal of Organic Chemistry: Chemische Berichte Bulletin des Sociétés Chimiques Belges Bulletin de la Société Chimique de France Gazzetta Chimica Italiana Recueil des Travaux Chimiques des Pays-Bas Anales de Química Chimika Chronika Revista Portuguesa de Química ACH—Models in Chemistry Polish Journal of Chemistry The European Journal of Inorganic Chemistry continues to keep you up-to-date with important inorganic chemistry research results.