材料科学
阴极
工艺优化
透射电子显微镜
盐(化学)
离子
衍射
原子单位
纳米技术
化学工程
物理化学
化学
有机化学
物理
光学
量子力学
工程类
作者
Zijian Cai,Yaqian Zhang,Zhengyan Lun,Bin Ouyang,Leighanne C. Gallington,Yingzhi Sun,Han‐Ming Hau,Yu Chen,Mary Scott,Gerbrand Ceder
标识
DOI:10.1002/aenm.202103923
摘要
Abstract Relating the synthesis conditions of materials to their functional performance has long been an experience‐based trial‐and‐error process. However, this methodology is not always efficient in identifying an appropriate protocol and can lead to overlooked opportunities for the performance optimization of materials through simple modifications of the synthesis process. In this work, the authors systematically track the structural evolution in the synthesis of a representative disordered rock salt (a promising next‐generation Li‐ion cathode material) at the scale of both the long‐range crystal structure and the short‐range atomic structure using various in situ and ex situ techniques, including transmission electron microscopy, X‐ray diffraction, and pair distribution function analysis. An optimization strategy is proposed for the synthesis protocol, leading to a remarkably enhanced capacity (specific energy) of 313 mAh g −1 (987 Wh kg −1 ) at a low rate (20 mA g −1 ), with a capacity of more than 140 mAh g −1 retained even at a very high cycling rate of 2000 mA g −1 . This strategy is further rationalized using ab initio calculations, and important opportunities for synthetic optimization demonstrated in this study are highlighted.
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