Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-09-18 , DOI: 10.1016/j.cplett.2020.137968 Francesco Tavani , Martina Fracchia , Nicoló Pianta , Paolo Ghigna , Eliana Quartarone , Paola D’Angelo
Transition metal-based high entropy oxides (TM-HEO) have recently been gaining interest for their potential use as anodes in next-generation Li-ion batteries. In such systems, however, the lithiation/delithiation mechanisms remain a matter of ongoing investigation. In this work we demonstrate the suitability of Multivariate Curve Resolution (MCR) of operando X-ray absorption spectroscopy (XAS) data to study the lithiation mechanisms in the TM-HEO (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)O. Through the MCR analysis, the number, nature and concentration evolution as a function of stored charge of all Cu-, Ni- and Co-related active species present during the first lithiation cycle is obtained.
中文翻译:
多元曲线分辨分析operando的锂化机制在高熵氧化物调查XAS数据
基于过渡金属的高熵氧化物(TM-HEO)最近因其在下一代锂离子电池中作为阳极的潜在用途而受到关注。然而,在这样的系统中,锂化/去锂化机制仍然是正在进行的研究的问题。在这项工作中,我们证明了操作X射线吸收光谱(XAS)数据的多元曲线分辨率(MCR)适于研究TM-HEO(Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2)O中的锂化机理。通过MCR分析,可以获得在第一个锂化周期中存在的所有与Cu,Ni和Co相关的活性物种的数量,性质和浓度随存储电荷的变化的函数。