Study on micro-structure and transport properties of KF-NaF-AlF3-Al2O3 system by first-principles molecular dynamics simulation-Reference-Cited by-同舟云学术

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Study on micro-structure and transport properties of KF-NaF-AlF3-Al2O3 system by first-principles molecular dynamics simulation

Published:2020-07 Issue: Volume:235 Page:109546
ISSN:0022-1139
Container-title:Journal of Fluorine Chemistry
language:en
Short-container-title:Journal of Fluorine Chemistry

Author:

Guo Hui,Li Jie,Zhang Hongliang,Luo Jiawei,Wang Jingkun,Mou Chunling,Wu Shangyuan,Zong Chuanxin

Funder

National Natural Science Foundation of China

ajor Scientific and Technological Innovation Projects of Shandong Province

Natural Science Foundation of Hunan Province, China

Fundamental Research Funds for the Central Universities of Central South University

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Environmental Chemistry,Biochemistry

Reference28 articles.

1. Anionic structure in molten cryolite-alumina systems;Machado;J. Phys. Chem. C,2018

2. Temperatures of primary crystallization and density of the KF+AlF3+LiF+Al2O3 molten system;Kubíková;J. Chem. Eng. Data,2018

3. Surface tension and density in the KF-NaF-AlF3-based electrolyte;Yan;J. Chem. Eng. Data,2011

4. Phase diagram of the system NaF-KF-AlF3;Danielik;J. Therm. Anal. Calorim.,2004

5. Phase diagram of the system KF-AlF3;Chen;J. Am. Ceram. Soc.,2000

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1. Computational insights into the structural, thermodynamic and transport properties of CaF2-MgF2 binary fluoride system at high temperatures;Computational Materials Science;2024-10

2. Study on the Structure and Transport Properties of Molten Salts of NaF–KF–AlF3 Electrolytes by First-Principles Molecular Dynamics Simulation;Russian Journal of Inorganic Chemistry;2024-04-12

3. Enhanced structural, optical and electrical properties of polycrystalline WO₃ thin films achieved by aluminum nanosheets coating;Physica Scripta;2024-03-20

4. Ab Initio Molecular Dynamics Simulation of Microstructure and Transport Properties of K3AlF6-2.2NaF-AlF3 System;Metals;2023-08-27

5. Coordination states of metal ions in molten salts and their characterization methods;International Journal of Minerals, Metallurgy and Materials;2023-05-13

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