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RESEARCH PAPER · Journal of the American Chemical Society · 2024

Oxygen Dimerization-Driven Cation Migration Induces Voltage Hysteresis in Disordered Rocksalt Cathodes

Byunghoon Kim, Peichen Zhong, Yunyeong Choi, Shashwat Anand, Han‐Ming Hau, Bowen Deng, Gerbrand Ceder

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Oxygen Dimerization-Driven Cation Migration Induces Voltage Hysteresis in Disordered Rocksalt CathodesOriginalA comprehensive understanding on the anionic redox chemistry of high-voltage cathode materials for high-energy-density lithium-ion batteries115Cation disordered rocksalt cathode materials for high-energy lithium-ion batteries1Mechanisms of Enhanced Electrochemical Performance by Chemical Short-Range Disorder in Lithium Oxide Cathodes8Accumulation of Unreduced Molecular O 2 Explains Abnormal Voltage Decay in P2‐Type Layered Oxide Cathode17A unified framework for path-dependent order-to-disorder phase evolution in Li-rich layered oxides0Coupled electrochemical–thermal modelling of early-stage degradation processes in lithium-rich disordered rocksalt cathodes2Structural Changes and Oxygen Dimerization in Li-Rich Layered Oxide Cathodes: An Atomic-Scale Study1Approaching Zero Voltage Attenuation of Lithium‐Rich Cathodes through Electrochemical Relaxation3Atomic Imaging Reveals Low-Hysteresis Oxygen Redox in Transition Metal Vacancy-Engineered Sodium Ion Cathodes0Surface BO 3 Configuration in Li‐Rich Cathode Materials Enabling Highly‐Stable Anionic Redox Reactions2Surface BO 3 Configuration in Li‐Rich Cathode Materials Enabling Highly‐Stable Anionic Redox Reactions2Suppressing transition metal migration via cation disorder engineering for enhanced kinetics in lithium-rich cathodes0Divergent Electrochemical Behaviors of O2 and O3 Phases in Li‐Rich Layered Oxides0Facilitated Phase Transformation for Improved Performance of Earth‐Abundant Disordered Rocksalt Materials0Electrochemically In Situ Formed Inverse‐Honeycomb Local Ordering for Low‐Voltage‐Hysteresis Oxygen Redox in Na/Li Layered Oxide Cathodes0Electrochemically In Situ Formed Inverse‐Honeycomb Local Ordering for Low‐Voltage‐Hysteresis Oxygen Redox in Na/Li Layered Oxide Cathodes0Entropy-Engineered Fe–O–Ni Orbital Coupling Enables Durable Co-Free Ni-Rich Layered Cathodes0Multi-Step Oxygen Redox Mechanism in the Polyanionic Lithium-Rich Cathode Li2FeSiO40Recent Progress in High‐Entropy Li‐Rich Cathodes for Advanced Lithium‐Ion Batteries0

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  1. A comprehensive understanding on the anionic redox chemistry of high-voltage cathode materials for high-energy-density lithium-ion batteries

    Chemical Society Reviews · 2025-01-01

    Qingyuan Li, Dong Zhou, Mihai Chu, Zhongqing Liu, Liangtao Yang, Wei Tao Wu, De Ning, Wenyuan Li, Xingbo Liu, Jie Li, Stefano Passerini, Jun Wang

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  2. Cation disordered rocksalt cathode materials for high-energy lithium-ion batteries

    Energy &amp Environment Nexus · 2025-01-01

    Tongen Lin, Fangfang Yuan, Yuan Wang, Matthew Simon Dargusch, Lianzhou Wang

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  3. Mechanisms of Enhanced Electrochemical Performance by Chemical Short-Range Disorder in Lithium Oxide Cathodes

    ACS Nano · 2025-02-06

    Zichang Zhang, Peng‐Hu Du, Jiahui Liu, Dingguo Xia, Qiang Sun

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  4. Accumulation of Unreduced Molecular O 2 Explains Abnormal Voltage Decay in P2‐Type Layered Oxide Cathode

    Advanced Energy Materials · 2025-08-15

    Chunjing Hu, Xiaobing Lou, Jiefan Liu, Jingxin Li, Wei Tong, Haitao Li, Ying Zou, Bingwen Hu, Chao Li

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  5. A unified framework for path-dependent order-to-disorder phase evolution in Li-rich layered oxides

    Energy & Environmental Science · 2026-01-01

    Gukhyun Lim, Hojun Lee, Saeyeon Sim, Jaehoon Kim, Jaewon Choi, Min Kyung Cho, Seok Hyun Song, Eunseong Choi, J. Okamoto, H. Y. Huang, D. J. Huang, Uichan Hwang, Seung-Heon Ri, Jaesub Kwon, Young Hwa Jung, Namdong Kim, Minah Lee, Kyu-Young Park, Jihyun Hong

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  6. Coupled electrochemical–thermal modelling of early-stage degradation processes in lithium-rich disordered rocksalt cathodes

    Physical Chemistry Chemical Physics · 2026-01-01

    Junais Habeeb Mokkath

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  7. Structural Changes and Oxygen Dimerization in Li-Rich Layered Oxide Cathodes: An Atomic-Scale Study

    Chemistry of Materials · 2026-04-29

    Prottay Malakar, Mohammad Babar, B. Barbiellini, Veenavee Nipunika Kothalawala, Arun Bansil, Venkatasubramanian Viswanathan

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  8. Approaching Zero Voltage Attenuation of Lithium‐Rich Cathodes through Electrochemical Relaxation

    Advanced Materials · 2026-06-08

    Yuehui Liu, Deniz Wong, Bing Nan, Junhua Zhang, X G Liu

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  9. Atomic Imaging Reveals Low-Hysteresis Oxygen Redox in Transition Metal Vacancy-Engineered Sodium Ion Cathodes

    ACS Applied Materials & Interfaces · 2026-06-09

    Muhammad Mudassir Hassan, Zhuo Chen, Fanjie Xia, Rui Fang, Xinlei Tang, Chunxia Zhao, Shan Hu, Jinsong Wu

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  10. Surface BO 3 Configuration in Li‐Rich Cathode Materials Enabling Highly‐Stable Anionic Redox Reactions

    Angewandte Chemie International Edition · 2026-06-24

    J L Zhang, Yuan Feng, Haoxiang Sun, Weisong Zhang, Te Zhang, Zhenhua Jia, Z H Zhang, Wei Yang, Hui Li, Feiran Shen, Weiwei Xie, Yixin Li, Zhenhua Yan, Kai Zhang, Jun Chen

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  11. Surface BO 3 Configuration in Li‐Rich Cathode Materials Enabling Highly‐Stable Anionic Redox Reactions

    Angewandte Chemie · 2026-06-25

    J L Zhang, Yuan Feng, Haoxiang Sun, Weisong Zhang, Te Zhang, Zhenhua Jia, Ziheng Zhang, Wei Yang, Hui Li, Feiran Shen, Weiwei Xie, Yixin Li, Zhenhua Yan, Kai Zhang, Jun Chen

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  12. Suppressing transition metal migration via cation disorder engineering for enhanced kinetics in lithium-rich cathodes

    Energy storage materials · 2026-07-20

    Hyejin Choi, Kyoung Sun Kim, Gyeongdo Park, Sung‐Pyo Cho, Sechan Lee, Hyungsub Kim, Chunjoong Kim, Byunghoon Kim, Kyojin Ku

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  13. Divergent Electrochemical Behaviors of O2 and O3 Phases in Li‐Rich Layered Oxides

    Rare Metals · 2026-08-01

    Juncheng Huang, Yijia Fu, Jiming Peng, Xiaoqiong Li, Gemeng Liang, Qichang Pan, Fenghua Zheng, Qingyu Li, Hongqiang Wang, Sijiang Hu

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  14. Facilitated Phase Transformation for Improved Performance of Earth‐Abundant Disordered Rocksalt Materials

    Advanced Energy Materials · 2026-08-06

    Han‐Ming Hau, Zijian Cai, Shilong Wang, Xinye Zhao, Krishna Prasad Koirala, Tzu‐Yang Huang, Yingzhi Sun, Xiaochen Yang, Lu Ma, Jianming Bai, Bryan D. McCloskey, Chongmin Wang, Gerbrand Ceder

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  15. Electrochemically In Situ Formed Inverse‐Honeycomb Local Ordering for Low‐Voltage‐Hysteresis Oxygen Redox in Na/Li Layered Oxide Cathodes

    Angewandte Chemie International Edition · 2026-09-10

    Shiqi Wang, Tianwei Cui, Min Zhang, Yijun Song, Yue Zhou, Biao Li

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  16. Electrochemically In Situ Formed Inverse‐Honeycomb Local Ordering for Low‐Voltage‐Hysteresis Oxygen Redox in Na/Li Layered Oxide Cathodes

    Angewandte Chemie · 2026-09-10

    Shiqi Wang, Tianwei Cui, Min Zhang, Yijun Song, Yue Zhou, Biao Li

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  17. Entropy-Engineered Fe–O–Ni Orbital Coupling Enables Durable Co-Free Ni-Rich Layered Cathodes

    ACS Applied Materials & Interfaces · 2026-09-10

    Wanlong Bai, Yunxing Guo, Wenfeng Zhang, Chao Sun, Deying Kong, Xiayu Zhu, Huimin Zhang, Shiyu Wang, Kang Ji, Jingyu Wu, Yingjie Ji, Yu Xiang, Jingyi Qiu, Yi‐Ming Yan

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  18. Multi-Step Oxygen Redox Mechanism in the Polyanionic Lithium-Rich Cathode Li2FeSiO4

    Journal of the American Chemical Society · 2026-09-28

    Patrick J. Taylor, Kit McColl, M. Saiful Islam, Benjamin J. Morgan

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  19. Recent Progress in High‐Entropy Li‐Rich Cathodes for Advanced Lithium‐Ion Batteries

    Small · 2026-09-28

    Jiaxin Li, Haotian Dong, Danfeng Jiang, Yixuan Liu, Haitao Zhang, Haitao Zhang

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