Isovalent substitution modulates average and short-range structure in disordered rocksalt oxides

John D. Langhout, Elizabeth Gager, Talianna Ulloa, Shane Shepard, Juan C. Nino and Megan M. Butala

J. Mater. Chem. A, 2024, 12, 32140
DOI: 10.1039/D4TA05971A

Lithium-rich sulfide Li2Ti1−xSixS3 cathode materials optimized through Si-doping for high-capacity all-solid-state lithium-ion batteries

Yaqi Hu, Zongliang Zhang, Siliang Liu, Fangbo He, Yang Liu, Zhi Zhuang and Fangyang Liu

J. Mater. Chem. A, 2024, 12, 6038
DOI: 10.1039/D3TA07222C

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 and Gerbrand Ceder

J. Am. Chem. Soc., 2025, 147, 223
DOI: 10.1021/jacs.4c09070

Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes

Han‐Ming Hau, Tucker Holstun, Eunryeol Lee, Bernardine L. D. Rinkel, Tara P. Mishra, Max Markuson DiPrince, Rohith Srinivaas Mohanakrishnan, Ethan C. Self, Kristin A. Persson, Bryan D. McCloskey and Gerbrand Ceder

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202502766

Insight Into High Entropy Compounds: Advances, Challenges and Energy Applications

Jian Sun, Wenlong Liu, Fei Liang, Rujing Liu, Yao Yao, Qiang Zou, Peng Dong and Sizhe Wang

Adv Funct Materials, 2026, 36
DOI: 10.1002/adfm.202510855

Fast and Trap-Minimized Li Transport via Size-Mismatch-Driven Cation-Ordering Control in Li-Excess Disordered Rocksalt Cathodes

Jinho Ahn, Bonyoung Ku, Hyunji Kweon, Hoseok Lee, Hobin Ahn, Myungeun Choi, Myeong Hwan Lee, Moonsu Yoon, Junghyun Choi, Jihyun Hong and Jongsoon Kim

ACS Nano, 2026, 20, 10556
DOI: 10.1021/acsnano.5c22044

Christophe Legein, Benjamin J. Morgan, Alexander G. Squires, Monique Body, Wei Li, Mario Burbano, Mathieu Salanne, Thibault Charpentier, Olaf J. Borkiewicz and Damien Dambournet

J. Am. Chem. Soc., 2024, 146, 21889
DOI: 10.1021/jacs.4c06304

Short-Range Order and Local Distortions in Entropy Stabilized Oxides

Solveig S. Aamlid, Sam Mugiraneza, Mario U. González-Rivas, Graham King, Alannah M. Hallas and Jörg Rottler

Chem. Mater., 2024, 36, 9636
DOI: 10.1021/acs.chemmater.4c01702

Low-Cost Vibrational Free Energies in Solid Solutions with Machine Learning Force Fields

Kasper Tolborg and Aron Walsh

J. Phys. Chem. Lett., 2023, 14, 11618
DOI: 10.1021/acs.jpclett.3c03083

Manipulating disorder within cathodes of alkali-ion batteries

Seongkoo Kang, Suwon Lee, Hakwoo Lee and Yong-Mook Kang

Nat Rev Chem, 2024, 8, 587
DOI: 10.1038/s41570-024-00622-1

Research advances of metal fluoride for energy conversion and storage

Runlin Zhang, Zijin Xu, Zeyu Hao, Zeshuo Meng, Xiufeng Hao and Hongwei Tian

Carbon Energy, 2025, 7
DOI: 10.1002/cey2.630

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

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

E, 2025, 1, 0
DOI: 10.48130/een-0025-0011

Tuning Cation (Dis)Order in Cr‐Based Li‐Excess Oxide Cathode Materials to Improve Li+ Transport Properties

Maciej Moździerz, Tucker Holstun, Zijian Cai, Gi‐Hyeok Lee, Han‐Ming Hau, Xiaochen Yang, Yu Chen, Paweł Czaja, Wanli Yang, Konrad Świerczek and Gerbrand Ceder

Advanced Energy Materials, 2025, 15
DOI: 10.1002/aenm.202502157

High-entropy battery materials: Revolutionizing energy storage with structural complexity and entropy-driven stabilization

Mukarram Ali, Mohsin Saleem, Tahir Sattar, Muhammad Zubair Khan, Jung Hyuk Koh, Osama Gohar, Iftikhar Hussain, Yizhou Zhang, Muhammad Bilal Hanif, Ghulam Ali and Muhammad Farooq Khan

Materials Science and Engineering: R: Reports, 2025, 163, 100921
DOI: 10.1016/j.mser.2024.100921

The bio-cathode of microbial fuel cells systems: Performance analysis under different microbial community conditions

Jing Guo, Chuan Cao, Zhenli Wang, Guojun Yuan and Qiang Wang

Desalination and Water Treatment, 2024, 320, 100796
DOI: 10.1016/j.dwt.2024.100796

Cation order and disorder in cathode materials for Li-ion batteries

Yue Zhou, Jiaqiang Huang and Biao Li

Next Materials, 2025, 6, 100441
DOI: 10.1016/j.nxmate.2024.100441

Predicting Short-Range Order in Disordered Rocksalt Li-Oxide Cathode Materials with Density Functional Theory and Crystal Graph Neural Networks

R. Seaton Ullberg, John D. Langhout, Megan M. Butala and Simon R. Phillpot

ACS Appl. Energy Mater., 2026, 9, 3703
DOI: 10.1021/acsaem.5c02676

Modeling Short‐Range Order in High‐Entropy Cation‐Disordered Rocksalt‐Type Cathodes

Junhong Liao, Hao Chen, Yaoshu Xie, Zihui Li, Shendong Tan, Shuyu Zhou, Lu Jiang, Xiang Zhang, Ming Liu, Yan‐Bing He, Feiyu Kang, Zhengyan Lun, Shixi Zhao and Tingzheng Hou

Advanced Energy Materials, 2025, 15
DOI: 10.1002/aenm.202501857

Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine-learning interatomic potentials

Peichen Zhong, Bowen Deng, Shashwat Anand, Tara Mishra and Gerbrand Ceder

Phys. Rev. Materials, 2025, 9
DOI: 10.1103/mk2d-tjyj

Short‐Range Order and LixTM4−x Probability Maps for Disordered Rocksalt Cathodes

Tzu‐chen Liu, Steven B. Torrisi and Chris Wolverton

Small, 2026, 22
DOI: 10.1002/smll.202514811

Recent advancements of high entropy ceramic/carbon composites toward rechargeable batteries

Huijun Li, Xiaoqin Cheng, Jinyu Zhao, Mingyang Gao, Hao Xu and Xiaomin Wang

Journal of Alloys and Compounds, 2025, 1010, 178237
DOI: 10.1016/j.jallcom.2024.178237

Modeling Intercalation Chemistry with Multiredox Reactions by Sparse Lattice Models in Disordered Rocksalt Cathodes

Peichen Zhong, Fengyu Xie, Luis Barroso-Luque, Liliang Huang and Gerbrand Ceder

PRX Energy, 2023, 2
DOI: 10.1103/PRXEnergy.2.043005

Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery

Konstantin S. Jakob, Aron Walsh, Karsten Reuter and Johannes T. Margraf

Advanced Materials, 2026, 38
DOI: 10.1002/adma.202514226