Lithium insertion in channel-structured β-AgVO:: In situ Raman study and computer simulation
Lithium insertion in channel-structured β-AgVO:: In situ Raman study and computer simulation
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DOI：
10.1021/cm071728i
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发表时间：
2007-11-27
影响因子：
8.6
通讯作者：
Tang, Ding Yuan
中科院分区：
文献类型：
--
作者：
Bao, Qiaoliang;Bao, Shujuan;Tang, Ding Yuan
嵌锂是可充电锂电池的基本电化学过程。本文报道了原位拉曼和原子模拟研究锂在β-AgVO_3层状结构材料中的嵌入过程。该过程的关键问题涉及β-AgVO 3中的结构变化和锂迁移途径。仿真模型与实验结果吻合较好。这表明锂的嵌入可以分为三个步骤。确定了β-AgVO 3晶格中各步的还原位置：高电位时最有利的还原位置为V1/V4;中电位时Ag 2/Ag 3被还原取代; Li+离子还原V2/V3/Ag 4后进一步还原V1/V4。首次提出了锂离子在β-AgVO 3中的迁移途径。我们的发现将有助于我们深入了解锂电池中Li+插入过程的深刻见解。
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 beta-AgVO3 nanowired structure material. Key issues of the process relate to structural variations and lithium migration pathways in the beta-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 beta-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 beta-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.