A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe_2O_4 Anode Materials
A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe_2O_4 Anode Materials
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DOI：
10.1557/adv.2018.305
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发表时间：
2018-03
期刊：
影响因子：
0.8
通讯作者：
Lei Wang;Alison H. McCarthy;K. Takeuchi;E. Takeuchi;A. Marschilok
中科院分区：
文献类型：
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作者：
Lei Wang;Alison H. McCarthy;K. Takeuchi;E. Takeuchi;A. Marschilok
ZnFe_2O_4（ZFO）是一种很有前途的锂离子电池负极材料，但人们对它的还原机理还缺乏深入的了解。本文通过汇编原位X射线衍射、基于同步加速器的粉末衍射和非原位X射线吸收精细结构数据，在实验上实现了还原/氧化产物的完整可视化，无论其结晶度如何。补充的理论模拟研究进一步阐明了锂化机理的基本认识，特别是在从ZnFe_2O_4到Li_xZnFe_2O_4（x = 2）的早期阶段。
ZnFe_2O_4 (ZFO) represents a promising anode material for lithium ion batteries, but there is still a lack of deep understanding of the fundamental reduction mechanism associated with this material. In this paper, the complete visualization of reduction/oxidation products irrespective of their crystallinity was achieved experimentally through a compilation of in situ X-ray diffraction, synchrotron based powder diffraction, and ex-situ X-ray absorption fine structure data. Complementary theoretical modelling study further shed light upon the fundamental understanding of the lithiation mechanism, especially at the early stage from ZnFe_2O_4 up to Li_xZnFe_2O_4 (x = 2).