Machine learning-assisted design and prediction of materials for batteries based on alkali metals

Kexin Si, Zhipeng Sun, Huaxin Song, Xiangfen Jiang and Xuebin Wang

Phys. Chem. Chem. Phys., 2025, 27, 5423
DOI: 10.1039/D4CP04214J

Unleashing Sodium–Sulfur Battery Performance With Atomically Dispersed Single Atom Catalysts

Sandip Maiti, Matthew T. Curnan, Noor Almusleh, Silpa Subhalaxmi, Dongwoo Shin, Ramanuj Narayan, Kakali Maiti and Jaehyun Hur

Advanced Energy Materials, 2026, 16
DOI: 10.1002/aenm.202505686

Rate Performance Prediction of P2-Type Cathode Materials Using a Random Forest Model

Zijin Cui, Jingyuan Guo, Cheng Wei, Haokun Li, Linzhuang Xing, Hongyu Yang, Yihang Li and Zhimin Li

J. Electron. Mater., 2026, 55, 3461
DOI: 10.1007/s11664-026-12710-7

Co-free and low strain cathode materials for sodium-ion batteries: Machine learning-based materials discovery

Minseon Kim, Woon-Hong Yeo and Kyoungmin Min

Energy Storage Materials, 2024, 69, 103405
DOI: 10.1016/j.ensm.2024.103405

Recent development in sodium metal batteries: challenges, progress, and perspective

Muhammad Ali, Aadil Nabi Chishti, Moazzam Ali, Sikandar Iqbal, Samia Aman, Asif Mahmood, Huiling Liu, Muhammad Yousaf and Yinzhu Jiang

Materials Today, 2025, 88, 730
DOI: 10.1016/j.mattod.2025.06.014

Confluence of electronic structure calculations (DFT) and machine learning (ML) for lithium and sodium-ion batteries: a theoretical perspective

Henu Sharma, Vinay Katari, Kisor K Sahu and Anjali Singh

Eng. Res. Express, 2024, 6, 032002
DOI: 10.1088/2631-8695/ad708f

Manipulation of electrochemically (In)active elements in Na3VMg0.5Ti0.5(PO4)3 and Na3.5V0.5MgTi0.5(PO4)3: Enhancing the longevity of NASICON-type cathodes for sodium-ion batteries

Vaiyapuri Soundharrajan, JunJi Piao, Subramanian Nithiananth, Vitalii Ri, Jung Ho Kim, Chunjoong Kim and Jaekook Kim

Journal of Magnesium and Alloys, 2025, 13, 5035
DOI: 10.1016/j.jma.2025.07.021

Synthesis and transport properties of the brannerite-type oxides Na1-xV1-xMo1+xO6

Fedorov D.S., Buzlukov A.L., Maksimova L.G., Medvedeva N.I., Denisova T.A., Tyutyunik A.P., Korona D.V., Baklanova Ya.V., Arapova I.Yu., Zabolotskaya E.V. and Solodovnikov S.F.

Ionics, 2024, 30, 7007
DOI: 10.1007/s11581-024-05791-z

Solvent induced electrostatic interaction at the Na3V2(PO4)2F3 electrode-electrolyte interface mediated by the binder

Pooja Bhaskar Madambikkattil, Shantikumar Nair and Dhamodaran Santhanagopalan

Electrochimica Acta, 2025, 529, 146268
DOI: 10.1016/j.electacta.2025.146268

Artificial intelligence empowering innovation in key materials for sodium-ion batteries: Machine learning driven design and optimization of cathode and anode materials

Jun Cong and Shaohua Luo

Journal of Energy Chemistry, 2026, 116, 434
DOI: 10.1016/j.jechem.2026.01.011

Na3VMn0.5Ti0.5(PO4)3/C with active Na+ hopping sites for high-rate and durable sodium-ion batteries

Vaiyapuri Soundharrajan, Seunggyeong Lee, Sohyun Park, JunJi Piao, Vinod Mathew and Jaekook Kim

Chemical Engineering Journal, 2023, 472, 144994
DOI: 10.1016/j.cej.2023.144994

A scalable sulfur-doped MnO2 cathode for high-energy Zn-ion pouch batteries

Huong Thu Duong, Tai Duc Luong, Duy Tho Pham, Khanh Van Tran, Bien Quang Nguyen, Subramanian Nithiananth, Duc Dung Mai, Vaiyapuri Soundharrajan, Duong Tung Pham and Hien Xuan Vu

Journal of Electroanalytical Chemistry, 2026, 1012, 120097
DOI: 10.1016/j.jelechem.2026.120097

Machine learning in energy storage material discovery and performance prediction

Guochang Huang, Fuqiang Huang and Wujie Dong

Chemical Engineering Journal, 2024, 492, 152294
DOI: 10.1016/j.cej.2024.152294

Exploring the limitations and unlocking the potential of sodium-ion battery cathodes

Fatima Tasneem Mohsin, Nazmul Hossain, Tamzeed Ahmed Alvy, Tasnuva Sharmin, Md Azazul Haque, Mohammad Muhtasim Mashfy, Mohammed Mousa and Mohammad Nasim

Materials Today Energy, 2025, 50, 101868
DOI: 10.1016/j.mtener.2025.101868

Na3.5(MnVFeTi)0.5(PO4)3: A Multi‐Transition‐Metal‐Ion‐Engineered NASICON‐Type Cathodes for Sodium Ion Batteries

Vaiyapuri Soundharrajan, Ghalib Alfaza, Anindityo Arifiadi, Demelash Feleke, Subramanian Nithiananth, JunJi Piao, Zhiyuan Zeng, Duong Tung Pham, Chunjoong Kim and Jaekook Kim

Batteries & Supercaps, 2025, 8
DOI: 10.1002/batt.202400526

Na3V2(PO4)3 cathode materials for advanced sodium-ion batteries: Modification strategies and density functional theory calculations

Zhaoyang Wang, Zhi Li, Zijuan Du, Jiajun Geng, Wei Zong, Ruwei Chen, Haobo Dong, Xuan Gao, Fangjia Zhao, Tianlei Wang, Tasnim Munshi, Lingyang Liu, Pengfang Zhang, Wenjing Shi, Dong Wang, Yaoyao Wang, Min Wang, Fangyu Xiong and Guanjie He

Journal of Colloid and Interface Science, 2025, 682, 760
DOI: 10.1016/j.jcis.2024.11.212

Data-driven paradigms for advancing alkali-metal-ion battery technologies

Hengjia Shao, Naveen Kumar, Wei-Hong Lai, Hao Li, Xue Jia, Hua-Kun Liu and Yun-Xiao Wang

Energy Storage Materials, 2026, 87, 105044
DOI: 10.1016/j.ensm.2026.105044

Machine-Learning-Assisted Development of Gel Polymer Electrolytes for Protecting Zn Metal Anodes from the Corrosion of Water Molecules

Ruijie Zhu, Zechen Li, Min Li, Xiangru Si, Huijun Yang, Baoyin Yuan, Qifeng Mu, Chunyu Zhu and Wei Cui

J. Phys. Chem. Lett., 2024, 15, 5191
DOI: 10.1021/acs.jpclett.4c00698

Toward breakthroughs in wide-temperature aqueous sodium-ion batteries: Challenges, advances and prospects

Yaqi Hou, Fanchen Gu, Dongmei Dai, Bao Li, Shuming Zheng, Bao Wang, Shiming Yang and Jian Qi

Energy Storage Materials, 2026, 86, 105014
DOI: 10.1016/j.ensm.2026.105014

Deep learning-driven evaluation and prediction of ion-doped NASICON materials for enhanced solid-state battery performance

Zirui Zhao, Xiaoke Wang, Si Wu, Pengfei Zhou, Qian Zhao, Guanping Xu, Kaitong Sun and Hai-Feng Li

AAPPS Bull., 2024, 34
DOI: 10.1007/s43673-024-00131-9

A dual-carbon encapsulation architecture boosted charge transfer and cycling stability of sodium vanadium/manganese phosphate cathode for sodium-ion batteries

Haiwen Zhang, Ran Li, Yu Ji, Yu Bai and Xingde Xiang

Journal of Electroanalytical Chemistry, 2025, 985, 119085
DOI: 10.1016/j.jelechem.2025.119085

Machine Learning-Guided Ab Initio Study of Na Super Ionic Conductor-Type Na4Hf2(SiO4)3 Solid-State Electrolyte for Sodium-Ion Batteries

Sri Sowmya Sirigineedi, Sangeeta Meena, Nidhi Verma and Ashok Kumar

ACS Omega, 2026, 11, 6400
DOI: 10.1021/acsomega.5c11236

First-principles modeling of structural and RedOx processes in high-voltage Mn-based cathodes for sodium-ion batteries

Aniello Langella, Arianna Massaro, Francesca Fasulo, Ana B. Muñoz-García and Michele Pavone

Pure and Applied Chemistry, 2025, 97, 1767
DOI: 10.1515/pac-2025-0622

Sulfide based solid electrolytes for sodium-ion battery: Synthesis, structure design, stability, and cell performance

Zarina Azmi, Arpan K. Goswami and Saumya R. Mohapatra

Sustainable Materials and Technologies, 2024, 42, e01176
DOI: 10.1016/j.susmat.2024.e01176

Unveiling the role of lignin in biomass-derived hard carbon anodes via machine learning

Junxiao Li, Yanghao Jin, Kang Sun, Ao Wang, Gaoyue Zhang, Limin Zhou, Weihong Yang, Mengmeng Fan, Jianchun Jiang, Yuming Wen and Shule Wang

Journal of Power Sources, 2025, 631, 236323
DOI: 10.1016/j.jpowsour.2025.236323

Aqueous Rechargeable Manganese/Iodine Battery

Vaiyapuri Soundharrajan, Duong Tung Pham, Junji Piao, Subramanian Nithiananth, Jung Ho Kim and Jaekook Kim

Batteries & Supercaps, 2024, 7
DOI: 10.1002/batt.202400131

Enhanced Na-Ion Storage of the NASICON Cathode through Synergistic Bulk Lattice Modulation and Porous Architecture

Min Guo, Yawei Zhang, Shaohong Qi, Tiancun Liu, Jiadi Ying, Yeqing Wang, Yanfu Chai, Guohua Gao and Zhixin Yu

Energy Fuels, 2023, 37, 17575
DOI: 10.1021/acs.energyfuels.3c03629