Abstract The role of substrate orientation on the electrochemical lithiation of single crystalline Si has been investigated using Si single crystal having two orientations. It has been demonstrated that the lithiation process in Si (100) occurs via amorphization while that in Si (111) occurs through the intermediacy of various Li-Si alloying phases ranging from LixSi to Li15Si4. Three phase lithiation process has been observed in Si (111). Post electrochemical cycling analysis by ex-situ XRD, XPS and AFM studies reveals that the lithiation in two differently oriented Si facets {i.e. Si (100) and Si (111)} indeed occurs differently. The model developed on the basis of insights gained from the AFM studies also supports the hypothesis built on the basis of initial CV measurements.

中文翻译：

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研究单晶硅的晶体取向对其电化学锂化行为的作用：Si 的表面化学决定了块状锂化。

摘要 使用具有两个取向的硅单晶研究了衬底取向对单晶硅电化学锂化的作用。已经证明，Si (100) 中的锂化过程通过非晶化发生，而 Si (111) 中的锂化过程通过从 LixSi 到 Li15Si4 的各种 Li-Si 合金相的中介发生。在 Si (111) 中已经观察到三相锂化过程。通过异位 XRD、XPS 和 AFM 研究进行的电化学循环后分​​析表明，两个不同取向的 Si 晶面{即 Si (100) 和 Si (111)} 中的锂化确实以不同的方式发生。基于从 AFM 研究中获得的见解开发的模型也支持建立在初始 CV 测量基础上的假设。