Accelerating Electrolyte Discovery for Sodium-Ion Battery Through Property-Based Frameworks and Artificial Intelligence

Li Ting Gao; Hossein Mashhadimoslem; Yi He; Weinan Zhao; Qiran Lu; Sushanta K. Mitra; Zhan-Sheng Guo; Aiping Yu

doi:10.1007/s41918-026-00296-x

Electrochemical Energy Reviews ›› 2026, Vol. 9 ›› Issue (1) :23 DOI: 10.1007/s41918-026-00296-x

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Accelerating Electrolyte Discovery for Sodium-Ion Battery Through Property-Based Frameworks and Artificial Intelligence

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¹Department of Chemical Engineering, Waterloo Institute for Nanotechnology, University of Waterloo, N2L 3G1, Waterloo, ON, Canada

²Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University, 200072, Shanghai, China

³Micro and Nano-Scale Transport Laboratory, Department of Mechanical and Mechatronics Engineering, Waterloo Institute for Nanotechnology, University of Waterloo, N2L 3G1, Waterloo, ON, Canada

⁴International School of Engineering (ISE), Faculty of Engineering, Chulalongkorn University, 10330, Bangkok, Thailand

^a skmitra@uwaterloo.ca

^b davidzsguo@shu.edu.cn

^c aipingyu@uwaterloo.ca

Li Ting Gao

Li Ting Gao completed her M.S. degree in Solid mechanics from Shanghai University in 2021. She received her Ph.D. degree from the School of Mechanics and Engineering Science at Shanghai University in 2026. Her current research focuses on dendrite evolution in lithium metal batteries and designing the high-energy solid-state electrolyte for sodium-ion batteries.

Hossein Mashhadimoslem

Hossein Mashhadimoslem is a postdoctoral scholar in the Department of Chemical Engineering at the University of Waterloo. Hossein focuses on the discovery of advanced battery materials using artificial intelligence and computational methods. His educational journey began with a B.S. degree in mechanical engineering, followed by an MSc and PhD in chemical engineering from IUST, and he has over a decade of experience in industrial energy megaprojects. His research interests include catalyst design, materials discovery using AI, and battery materials design.

Yi He

Yi He is currently a postdoctoral fellow in the department of Chemical Engineering, University of Waterloo. He received his Ph.D. degree at the University of Science and Technology of China (USTC) in 2023. His research interest lies in the mass transport-related study of electrochemical energy storage devices, including anode-free Li-based batteries, Zn-air batteries, and aqueous flow batteries.

Weinan Zhao

Weinan Zhao received his B.S. and M.S. degrees from the China University of Petroleum and his Ph.D. degree in chemical engineering from the University of Waterloo in 2023. He is currently a postdoctoral researcher in the Department of Chemical Engineering at the University of Waterloo. His research interests focus on electrolyte engineering for rechargeable batteries, nano catalyst design for zinc-air bat teries, and related electrochemical properties.

Qiran Lu

Qiran Lu received the M.A.Sc. degree in Chemical Engineering from the University of Waterloo in 2025. Her research interests focus on advanced electrode and electrolyte materials for lithium-ion and sodium-ion batteries, particularly hard carbon anodes and solid-state electrolytes.

Sushanta Mitra

Sushanta K. Mitra is a Professor in the Department of Mechanical & Mechatronics Engineering at the University of Waterloo, with cross-appointments in Chemical Engineering, Electrical & Computer Engineering, Physics & Astronomy, and Chemistry. He serves as Executive Director of the Waterloo Institute for Nanotechnology, Canada's largest nanotechnology institute. His distinguished career includes leadership roles as Department Chair at the Lassonde School of Engineering, Associate Vice-President Research at York University, and Assistant Vice-President Research at the University of Alberta. Dr. Mitra also served as President of the Canadian Society for Mechanical Engineering. An accomplished academic and entrepreneur, Dr. Mitra is the Founder & CEO of NeuTantrix Inc. (sensing brain signals) and SLE Enterprises B.V. (ultra-fast encapsulation technology). He has been elected fellow of numerous prestigious organizations, including the Canadian Academy of Engineering, the Royal Society of Chemistry, the American Physical Society, the Electrochemical Society and is a foreign fellow of both the Indian National Academy of Engineering and the National Academy of Sciences India.

Zhan-Sheng Guo

Zhan-Sheng Guo is a full professor at the School of Mechanics and Engineering Science, Shanghai University. He obtained his Ph.D. degree from the Harbin Institute of Technology in 2004. He has published over 120 papers in international prestigious journals, such as Carbon, Journal of Power Sources, Engineering Fracture Mechanics, Journal of Energy Storage, and International Journal of Solids and Structures. Now, his research focuses on the electrochemical-mechanical coupling of advanced energy conversion and storage, as well as the electromechanical coupling of dielectric elastomers.

Aiping Yu

Aiping Yu is a University Research Chair professor, a fellow of the Canadian Academy of Engineering, and a professor in the Department of Chemical Engineering at the University of Waterloo. The immersion in academia and industry for over 26 years has empowered her with multidisciplinary expertise in nanomaterials development, processing, and chemical functionalization for engineering applications in energy storage and multifunctional polymer composites. Prof. Yu has achieved 9 US patents/provisional patents, 3 books/book chapters, and more than 200 refereed journal articles. Broadly speaking, her research has achieved a significant impact on her field and related industries. She is listed in the 2022 World’s Top 2% Scientist database published by John Ioannidis at Stanford. She is the recipient of two prestigious national awards: the NSERC Steacie Memorial Fellowship and the RSC Rutherford Memorial Award. In 2023, she was recognized as Canada's Most Powerful Women Top 100. She is now Canada’s foremost researcher in the design and development of cost-effective nanosized materials for energy storage and polymer applications.

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Abstract

Sodium-ion batteries have emerged as low-cost and resource-abundant alternatives to lithium-ion systems; however, their practical deployment is fundamentally constrained by interfacial instability, dendrite growth, and mechanical degradation. Although extensive efforts have been devoted to electrolyte development, current research remains fragmented. A unified understanding of how key properties, including ionic conductivity, electrochemical stability, mechanical robustness, and interfacial compatibility, collectively govern performance and failure is still lacking, thereby limiting rational electrolyte design and slowing materials discovery. Here, we present a performance-driven, mechanism-oriented framework that places battery performance at the core of electrolyte design, integrating safety, stability, and sustainability considerations into a holistic design paradigm for solid and hybrid electrolytes. This framework emphasizes the coupled chemo-mechanical mechanisms governing crack formation, dendrite propagation, and interfacial destabilization, revealing their synergistic contributions to long-term degradation. Building on this unified perspective, recent advances in material design, interfacial engineering, and hybrid architectures are critically analyzed in the context of resolving intrinsic trade-offs. Furthermore, artificial intelligence and machine learning are positioned not merely as auxiliary tools but as key enablers that link property descriptors with accelerated electrolyte discovery within this framework. By integrating mechanistic insights with data-driven strategies and emerging standardization protocols such as extremely lean electrolyte testing, this review establishes a multidimensional roadmap toward the development of safe, durable, and commercially viable sodium-ion batteries.

Keywords

Sodium-ion batteries / Solid-state electrolytes / Interfacial stability / Dendrite suppression / Crack mitigation / Artificial intelligence / Sustainability

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Li Ting Gao, Hossein Mashhadimoslem, Yi He, Weinan Zhao, Qiran Lu, Sushanta K. Mitra, Zhan-Sheng Guo, Aiping Yu. Accelerating Electrolyte Discovery for Sodium-Ion Battery Through Property-Based Frameworks and Artificial Intelligence. Electrochemical Energy Reviews, 2026, 9 (1) : 23 DOI:10.1007/s41918-026-00296-x

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