Combined DFT and ionic model computational study of the effect of alkali metal cations on the structure, bonding and properties of molten cryolites, M 3 AlF 6 (M = li, Na, K, Rb, and Cs)

IF 1.2 4区化学 Q4 CHEMISTRY, PHYSICAL

Physics and Chemistry of Liquids Pub Date : 2024-05-08 DOI:10.1080/00319104.2024.2349777

A. S. Özen, Zehra Akdeniz

引用次数: 0

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碱金属阳离子对熔融冰晶石 M 3 AlF 6（M = li、Na、K、Rb 和 Cs）的结构、键合和性质的影响的 DFT 和离子模型组合计算研究

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physics and Chemistry of Liquids 化学-物理：凝聚态物理

CiteScore

3.30

自引率

8.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Physics and Chemistry of Liquids publishes experimental and theoretical papers, letters and reviews aimed at furthering the understanding of the liquid state. The coverage embraces the whole spectrum of liquids, from simple monatomic liquids and their mixtures, through charged liquids (e.g. ionic melts, liquid metals and their alloys, ions in aqueous solution, and metal-electrolyte systems) to molecular liquids of all kinds. It also covers quantum fluids and superfluids, such as Fermi and non-Fermi liquids, superconductors, Bose-Einstein condensates, correlated electron or spin assemblies. By publishing papers on physical aspects of the liquid state as well as those with a mainly chemical focus, Physics and Chemistry of Liquids provides a medium for the publication of interdisciplinary papers on liquids serving its broad international readership of physicists and chemists.