The sodiation mechanism of TiO2 anatase was thoroughly investigated via X-ray absorption spectroscopy under operando conditions. The data set was analysed via an innovative and smart approach based on chemometric tools that allows the unbiased and reliable extraction of the maximum amount of meaningful information. The resulting data analysis reveals that the electrochemical sodiation mechanism is mainly based on the reduction of Ti4+ to Ti3+, going along with the irreversible amorphisation of the pristine anatase structure. At least one semi-amorphous intermediate is formed during the first discharge, whose local structure resembles those obtained at the end of the charge.

中文翻译：

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通过 Operando X 射线吸收光谱重新审视 TiO2 的钠化机制

在操作条件下通过 X 射线吸收光谱彻底研究了 TiO2 锐钛矿的钠化机制。该数据集通过基于化学计量工具的创新和智能方法进行分析，该方法允许无偏见和可靠地提取最大量的有意义的信息。结果数据分析表明，电化学钠化机制主要基于 Ti4+ 还原为 Ti3+，以及原始锐钛矿结构的不可逆非晶化。在第一次放电期间至少形成一个半非晶中间体，其局部结构类似于在充电结束时获得的结构。