Optimization of the properties of cathode materials based on lithium manganese silicate compounds using computer simulation

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• 作者：M. Yu. Arsent’ev ; N. Yu. Koval’ko ; P. A. Tikhonov…
• 关键词：Li ; ion batteries ; supercapacitors ; crystallochemical analysis ; electron density functional theory
• 刊名：Glass Physics and Chemistry
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：43
• 期：1
• 页码：106-110
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Ceramics, Glass, Composites, Natural Materials; Characterization and Evaluation of Materials; Materials Science, general; Physical Chemistry;
• 出版者：Pleiades Publishing
• ISSN：1608-313X
• 卷排序：43

文摘

Using the method of crystallochemical analysis (the TOPOS program package), the 14 most promising and stable structures of lithium manganese (iron) silicate compounds have been selected based on the data on 132 experimentally received and predicted compounds (Materials Project resource).