Thermodynamics-directed bulk/grain-boundary engineering for superior electrochemical durability of Ni-rich cathode
作者机构：School of Materials Science and Engineering Changsha University of Science and Technology School of Metallurgy and Environment Central South University National Engineering Research Centre of Advanced Energy Storage Materials College of Chemistry and Chemical Engineering Central South University
出 版 物：《Journal of Energy Chemistry》 (能源化学(英文版))
年 卷 期：2024年第97卷第10期
页 面：321-331页
核心收录：
学科分类：081702[工学-化学工艺] 0808[工学-电气工程] 08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学]
基 金：supported by the National Natural Science Foundation of China (52374299, 52304320 and 52204306) the Outstanding Youth Foundation of Hunan Province (2023JJ10044) the Key Project of Hunan Provincial Department of Education (22A0211) the Natural Science Foundation of Hunan Province (2023JJ40014)
主 题：Bulk doping Dual-modification Grain boundary coating Ni-rich layered cathode Thermodynamic perspective
摘 要：Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi1-x-yCoxMnyO2（NCM） cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li+*** that the non-magnetic Ti4+ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal ***,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign ***,a LiTaO3grain boundary（GB） coating and bulk Ti-doping have been successfully achieved in LiNi0.834Co0.11Mn0.056O2cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating *** to the coupling effect of strengthened structural/interfacial stability and improved Li+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1% after 400 cycles at 1 *** elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.
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