2024
DOI: 10.1002/qua.27440
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Effects of Fe and Li2MnO3‐like domains on structural stability in Co‐free Li‐rich layered oxide cathodes

Yu Zhang,
Mingxia Yan,
Xin Guo
et al.

Abstract: The aggregation of Li2MnO3‐like domains in Li‐rich layered oxides (LLOs) causes severe capacity/voltage fading, which seriously impedes their commercial applications. Here, we design Co‐free Li‐rich LiFeNiMnO system with dispersed small‐sized Li2MnO3–like domains (D‐LFNMO) and aggregated Li2MnO3‐like domains (A‐LFNMO) to investigate effects of Li2MnO3‐like domain sizes and Fe content on structures and oxidation process using density function theory (DFT) calculations. De‐lithiation structures, structural s… Show more

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