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.
Tavani, F., Fracchia, M., Pianta, N., Ghigna, P., Quartarone, E., D'Angelo, P. (2020). Multivariate curve resolution analysis of operando XAS data for the investigation of the lithiation mechanisms in high entropy oxides. CHEMICAL PHYSICS LETTERS, 760, 137968 [10.1016/j.cplett.2020.137968].
Multivariate curve resolution analysis of operando XAS data for the investigation of the lithiation mechanisms in high entropy oxides
Pianta N.;
2020
Abstract
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.
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