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RESEARCH PAPER · Matter · 2025

Exploring the soft cradle effect and ionic transport mechanisms in the LiMXCl4 superionic conductor family

KyuJung Jun, Grace Wei, Xiaochen Yang, Yu Chen, Gerbrand Ceder

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Exploring the soft cradle effect and ionic transport mechanisms in the LiMXCl4 superionic conductor familyOriginalCoupling of high ion transport efficiency in hydrogel electrolytes and interfacial fusion for performance enhancement in all-solid-state paper-based self-powered electrochromic devices with low-temperature tolerance15Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes14Enhanced Dielectric Energy Storage in Hf0.5Zr0.5O2-Based Oxides by Structure-Evolution Amorphization1Progress and Challenges in Li M OCl 4 and Na M OCl 4 ( M = Nb, Ta) Oxyhalide Solid Electrolytes for Solid‐State Batteries14Designing Lithium Superionic Conductors via Polyanion Rotational Dynamics in Isolated Framework4Na2FeSiO4 as a sodium-ion battery material: A computational perspective3Cationic Point Defect Fluoride to Improve Reaction Kinetics in (All) Solid-State Li Batteries1Lattice dynamics in inorganic solid state electrolytes0Redox‐Active Halide Catholytes for Solid‐State Lithium Batteries5Machine-Learning-Guided Insights into Solid-Electrolyte Interphase Conductivity: Are Amorphous Lithium Fluorophosphates the Key?4Correlated terahertz phonon–ion interactions control ion conduction in a solid electrolyte6Fine-tuning of oxygen content enables fast Li-ion transport in oxy-chloride solid electrolyte for high voltage all-solid-state batteries3Ultrahigh Ionic Conductivity in Halide Electrolytes Enabled by Anion Framework Flexibility Engineering20Minimizing Interfacial Resistance between Polymer Electrolytes and Metal Electrodes Using Applied Current2Microscopic Mechanisms of Superionic Na-ion Conductivity in Crystalline and Amorphous NaMOCl 4 (M = Nb, Ta) Solid Electrolytes10Halide-based materials and interfacial chemistry for solid-state batteries: From fundamentals to applications1Ta-based amorphous chloride solid electrolytes: A review0Advancing Interface Engineering for Non-Close-Packed Halide-Based All-Solid-State Lithium Batteries3Universal Oxychlorination Strategy in Halide Solid Electrolytes for All‐Solid‐State Batteries2Interfacial Redox Buffering Stabilizes Halide Solid Electrolytes Against Low-Potential Anodes1Harnessing Machine Learning Potential to Assess Subtle Coupled Transrotational Ionic Dynamics in Solid State Electrolyte0Halide and oxyhalide solid-state electrolytes: From structural chemistry to electrochemical applications in all-solid-state Na-ion batteries3Quantifying the self-discharge rate of solid-state batteries2Disorder‐Driven Fast Na + Transport: From Crystalline to Amorphous Networks in the Mixed‐Anion NaTaO x Cl 6−2 x Oxychlorides2Deciphering Emergent Oxyhalide Solid‐State Electrolytes for Next‐Generation All‐Solid‐State Lithium Metal Batteries0Anode Compatibility of Halide Solid‐State Electrolytes2A paradigm shift in all-solid-state lithium batteries: halide cathode materials streamlined for multi-electron reactions1HCl‐Free Mechanochemical Synthesis of Lithium Niobium Oxychlorides0Progress on Halide Solid State Electrolytes: Structural Regulation, Interfacial Engineering, and Machine Learning Driven Paradigms2Fluorination-Enhanced Ionic Conductivity in Cost-Effective Halide Solid Electrolytes0

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  1. Coupling of high ion transport efficiency in hydrogel electrolytes and interfacial fusion for performance enhancement in all-solid-state paper-based self-powered electrochromic devices with low-temperature tolerance

    Journal of Materials Chemistry A · 2025-01-01

    Guodong Liu, Shuyue Chen, Xiaohong Jiang, Zhuoqing Zhang, Yaoli Wang, Hanbin Liu, Zhijian Li, Patrick A.C. Gane

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  2. Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes

    Macromolecules · 2025-06-20

    Jurğis Ruža, Pablo A. Leon, KyuJung Jun, Jeremiah A. Johnson, Yang Shao‐Horn, Rafael Gómez‐Bombarelli

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  3. Enhanced Dielectric Energy Storage in Hf0.5Zr0.5O2-Based Oxides by Structure-Evolution Amorphization

    ACS Applied Electronic Materials · 2025-08-16

    Qiao-Tong Luan, Hao Yang, Qing Zhang, Weijie Zheng, Xinyu Jiang, J.J. Li, Xiaohui Liu, Zhaoru Sun, Zheng Wen

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  4. Progress and Challenges in Li M OCl 4 and Na M OCl 4 ( M = Nb, Ta) Oxyhalide Solid Electrolytes for Solid‐State Batteries

    Advanced Energy Materials · 2025-09-12

    Jon A. Newnham, Alexander G. Squires, Marvin A. Kraft, David O. Scanlon, Wolfgang G. Zeier

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  5. Designing Lithium Superionic Conductors via Polyanion Rotational Dynamics in Isolated Framework

    ACS Nano · 2025-10-01

    Yu Yang, Kui Chen, Hong Min Zhu

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  6. Na2FeSiO4 as a sodium-ion battery material: A computational perspective

    Frontiers in Energy · 2025-10-09

    Ratnasingam Sriraam, Poobalasingam Abiman, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan

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  7. Cationic Point Defect Fluoride to Improve Reaction Kinetics in (All) Solid-State Li Batteries

    ACS Nano · 2025-10-10

    Seong Hee Jeong, Seungun Shin, Dong-Il Kim, Dong-Il Kim, Myeongsoo Kim, Hyejin Kwon, Sora Kang, Min‐Sang Song, Woosuk Cho, Duho Kim, Duho Kim, Min‐Sik Park

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  8. Lattice dynamics in inorganic solid state electrolytes

    Chinese Science Bulletin (Chinese Version) · 2025-11-04

    Chaohong Guan, Renyu Cai, Zhan Yu, Yucheng Fu, Runxin Ouyang, Hong Min Zhu

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  9. Redox‐Active Halide Catholytes for Solid‐State Lithium Batteries

    Advanced Science · 2025-11-09

    Guang Sun, Zhenyou Song, Yiming Dai, Zuke Xiao, Xueying Zheng, Wei Hua Luo

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  10. Machine-Learning-Guided Insights into Solid-Electrolyte Interphase Conductivity: Are Amorphous Lithium Fluorophosphates the Key?

    ACS Energy Letters · 2025-12-18

    Peichen Zhong, Kristin Aslaug Persson

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  11. Correlated terahertz phonon–ion interactions control ion conduction in a solid electrolyte

    Materials Horizons · 2026-01-01

    Kim H. Pham, Kiarash Gordiz, Natan A. Spear, Amy K. Lin, Jonathan M. Michelsen, Hanzhe Liu, Daniele Vivona, Geoffrey A. Blake, Yang Shao‐Horn, Asegun S. Henry, Kimberly A. See, Scott K. Cushing

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  12. Fine-tuning of oxygen content enables fast Li-ion transport in oxy-chloride solid electrolyte for high voltage all-solid-state batteries

    Journal of Power Sources · 2026-01-02

    Yuvaraj Subramanian, Jung-Jae Park, Sung Gyu Kang, Kwang‐Sun Ryu

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  13. Ultrahigh Ionic Conductivity in Halide Electrolytes Enabled by Anion Framework Flexibility Engineering

    Journal of the American Chemical Society · 2026-01-12

    Rui Li, Shenhao Wen, Kaiqi Xu, C. Y. Wang, Zheyu Lin, X.-M. Tang, Zhizhen Zhang, Yong‐Sheng Hu

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  14. Minimizing Interfacial Resistance between Polymer Electrolytes and Metal Electrodes Using Applied Current

    ACS Energy Letters · 2026-01-15

    Jaeyong Lee, Venkat N. Srinivasan, Nitash P. Balsara

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  15. Microscopic Mechanisms of Superionic Na-ion Conductivity in Crystalline and Amorphous NaMOCl 4 (M = Nb, Ta) Solid Electrolytes

    ACS Energy Letters · 2026-01-31

    Grace Wei, Luca Binci, Gerbrand Ceder

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  16. Halide-based materials and interfacial chemistry for solid-state batteries: From fundamentals to applications

    Future Batteries · 2026-02-25

    LI Xiangrong, Kai XIE, LI Jiale, Tsz Wing Tang, Guan Sheng, Chi Zhang, Xue WANG, Jiyun Zhao

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  17. Ta-based amorphous chloride solid electrolytes: A review

    Nano Materials Science · 2026-03-01

    Guozhuang Gao, Rong Yang, Huang Liang

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  18. Advancing Interface Engineering for Non-Close-Packed Halide-Based All-Solid-State Lithium Batteries

    ACS Applied Energy Materials · 2026-03-03

    Kai Zhang, Songjia Kong, Keqi Chen, Siwen Zhang, Yanguang Li, Feipeng Zhao

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  19. Universal Oxychlorination Strategy in Halide Solid Electrolytes for All‐Solid‐State Batteries

    Advanced Energy Materials · 2026-03-06

    Jae‐Seung Kim, Heeju Park, Hae‐Yong Kim, Eunryeol Lee, Heewon Kim, Soeul Lee, Jinyeong Choe, Jiwon Seo, Hyeon-Jong Lee, Hojoon Kim, Jemin Yeon, Yoon Seok Jung, Kyung‐Wan Nam, Dong‐Hwa Seo

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  20. Interfacial Redox Buffering Stabilizes Halide Solid Electrolytes Against Low-Potential Anodes

    Research Square · 2026-03-27

    Guoying Chen, Hyunwon Chu, Shuhao Yang, Sanggyu Chong, Pravin N. Didwal, Partha P. Paul

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  21. Harnessing Machine Learning Potential to Assess Subtle Coupled Transrotational Ionic Dynamics in Solid State Electrolyte

    The Journal of Physical Chemistry C · 2026-04-14

    Nicholas Thongbam, Rachita Panigrahi, Bhabani S. Mallik

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  22. Halide and oxyhalide solid-state electrolytes: From structural chemistry to electrochemical applications in all-solid-state Na-ion batteries

    Materials Today Chemistry · 2026-04-18

    Chaeeun Boo, Jihyun Jang

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  23. Quantifying the self-discharge rate of solid-state batteries

    Nature Energy · 2026-04-22

    Christoph D. Alt, Jürgen Janek

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  24. Disorder‐Driven Fast Na + Transport: From Crystalline to Amorphous Networks in the Mixed‐Anion NaTaO x Cl 6−2 x Oxychlorides

    Advanced Energy Materials · 2026-04-23

    Justin Leifeld, Abigail C. Parsons, Alexandra Morscher, Xabier Martínez de Irujo-Labalde, Marvin A. Kraft, Oskar Georg Soulas, Bibek Samanta, Wiebke Zielasko, Neelam Yadav, Kyra Strotmann, Niina Jalarvo, Bruno V. M. Rodrigues, Adam Slabon, Philipp Adelhelm, Michael Ryan Hansen, David O. Scanlon, Wolfgang G. Zeier, Alexander G. Squires

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  25. Deciphering Emergent Oxyhalide Solid‐State Electrolytes for Next‐Generation All‐Solid‐State Lithium Metal Batteries

    Small · 2026-05-24

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  26. Anode Compatibility of Halide Solid‐State Electrolytes

    Advanced Materials · 2026-06-29

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  27. A paradigm shift in all-solid-state lithium batteries: halide cathode materials streamlined for multi-electron reactions

    National Science Review · 2026-07-16

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  28. HCl‐Free Mechanochemical Synthesis of Lithium Niobium Oxychlorides

    Chemistry - Methods · 2026-08-01

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  29. Progress on Halide Solid State Electrolytes: Structural Regulation, Interfacial Engineering, and Machine Learning Driven Paradigms

    ACS Energy Letters · 2026-08-14

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  30. Fluorination-Enhanced Ionic Conductivity in Cost-Effective Halide Solid Electrolytes

    Chemistry of Materials · 2026-09-08

    Yu Chen, Xiaochen Yang, Hao Qiu, Raynald A. Giovine, Shilong Wang, Yinghui Li, Shuoyan Xiong, KyuJung Jun, Chaochao Dun, Chang Li, Jeffrey J. Urban, Gerbrand Ceder

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