Interpreting Electrochemical and Chemical Sodiation Mechanisms and Kinetics in Tin Antimony Battery Anodes Using in Situ Transmission Electron Microscopy and Computational Methods
Interpreting Electrochemical and Chemical Sodiation Mechanisms and Kinetics in Tin Antimony Battery Anodes Using in Situ Transmission Electron Microscopy and Computational Methods
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DOI：
10.1021/acsaem.9b00310
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发表时间：
2019-04
影响因子：
6.4
通讯作者：
Jacob S. Gutiérrez-Kolar;L. Baggetto;X. Sang;Dongwon Shin;Vitaliy Yurkiv;F. Mashayek;G. Veith;R. Shahbazian‐Yassar;R. Unocic
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文献类型：
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作者：
Jacob S. Gutiérrez-Kolar;L. Baggetto;X. Sang;Dongwon Shin;Vitaliy Yurkiv;F. Mashayek;G. Veith;R. Shahbazian‐Yassar;R. Unocic
金属间化合物如SnSb是很有前途的钠离子电池负极材料，然而，它们的纳米钠化机理还没有很好地理解。在这里，我们使用了原位透射电子显微镜（TEM），第一性原理电子结构计算，计算热力学建模和相场模拟的组合，以揭示钠化机制，并量化微观结构的影响，有助于潜在的反应动力学在SnSb电极。在原位钠化实验期间，纳米晶SnSb薄膜在钠化后经历了快速的非晶相变，如通过原位TEM和电子衍射实验所确定的。的Na+扩散系数进行了测量，并没有一个外部的电偏压，和数据显示，所施加的电位增加了Na+扩散的数量级相比，固态扩散。此外，有一个明显的减少钠扩散后形成的…
Intermetallic compounds such as SnSb are promising anode materials for sodium ion batteries; however, their nanoscale sodiation mechanisms are not well understood. Here, we used a combination of in situ transmission electron microscopy (TEM), first-principles electronic structure calculations, computational thermodynamic modeling, and phase-field simulations to reveal the sodiation mechanisms and to quantify microstructural effects contributing to the underlying reaction kinetics in SnSb electrodes. During in situ sodiation experiments, the nanocrystalline SnSb thin films underwent a rapid amorphous phase transformation upon sodiation, as determined by in situ TEM and electron diffraction experiments. The Na+ diffusion coefficients were measured with and without an external electrical bias, and the data showed that an applied potential increased Na+ diffusion by an order of magnitude compared to solid-state diffusion. Furthermore, there was a distinct decrease in sodium diffusion upon the formation of the...