Lithium Insertion in Channel-Structured β-AgVO3: In Situ Raman Study and Computer Simulation

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• 作者：Qiaoliang Bao ; Shujuan Bao ; Chang Ming Li ; Xiang Qi ; Chunxu Pan ; Jianfeng Zang ; Weiliang Wang ; Ding Yuan Tang
• 刊名：Chemistry of Materials
• 出版年：2007
• 出版时间：November 27, 2007
• 年：2007
• 卷：19
• 期：24
• 页码：5965 - 5972
• 全文大小：2000K
• 年卷期：v.19,no.24(November 27, 2007)
• ISSN：1520-5002

文摘

Lithium insertion is the fundamental electrochemical process of rechargeable lithium batteries. We report here in situ Raman and atomistic simulation studies of the lithium insertion process in β-AgVO₃ nanowired structure material. Key issues of the process relate to structural variations and lithium migration pathways in the β-AgVO₃. The simulation model shows good agreement with the experimental results. It indicates that the lithium insertion can be divided into three steps. The reduction sites at each step in the β-AgVO₃ lattice are confirmed: the most favorable reduction sites at higher potential are V1/V4; at medium potential, Ag2/Ag3 are reduced and substituted; after that Li⁺ ion reduces V2/V3/Ag4 and further reduces V1/V4. The migration pathways of Li⁺ ions in β-AgVO₃ are proposed for the first time. Our discovery would help us to greatly understand the deep insight of the Li⁺ insertion process in lithium batteries.