Dalian Institute of Chemical Physics,Chinese Academic of Science, China
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👨🔬 Academic and Professional Background
Assoc. Prof. Dr. Tianyu Li currently serves as an Associate Researcher at the Dalian Institute of Chemical Physics, Chinese Academy of Sciences. He earned both his Bachelor’s and Ph.D. in Chemical Engineering from the Dalian University of Technology in 2014 and 2019, respectively. Since then, Dr. Li has been deeply engaged in pioneering research in electrochemical energy storage systems. His expertise lies in the application of advanced theoretical methods, including Density Functional Theory (DFT), Molecular Dynamics (MD) simulations, and Artificial Intelligence (AI). His primary focus areas include solvation structures, reaction mechanisms of ions in electrolytes, design of key materials for flow batteries, and AI-assisted development of Vanadium Redox Flow Batteries (VFBs).
🔬 Areas of Research
Dr. Li’s research is centered on cutting-edge approaches to enhance electrochemical energy storage technologies. He integrates DFT calculations, MD simulations, and machine learning techniques to better understand the fundamental interactions within energy systems and to develop high-performance, cost-efficient battery materials.
🧪 Scientific Contributions
In a significant breakthrough, Dr. Li investigated the solvation structures and dynamic evolution of V(V) electrolytes using Ab Initio Molecular Dynamics (AIMD) and Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). For the first time, his research clarified the transformation from [VO₂(H₂O)₃]⁺ to VO(OH)₃, identifying the second deprotonation step as the rate-determining step in the reaction mechanism. Building on this understanding, he introduced stabilization strategies involving anion coordination and proton concentration control. The resulting novel electrolyte exhibited no precipitation in 30-day static tests at 50 °C, demonstrating exceptional cycling stability over 3000 cycles in VFB single cells. Furthermore, a kW-scale stack system utilizing his design achieved over 1000 cycles, indicating strong potential for real-world industrial applications. To further bridge research and commercialization, Dr. Li proposed a machine learning–based performance and cost prediction model and optimization strategy for VFBs.
Notable Publications📝
📄An aqueous hybrid electrolyte for low-temperature zinc-based energy storage devices
Authors: N. Chang, T. Li, R. Li, S. Wang, Y. Yin, H. Zhang, X. Li
Journal: Energy & Environmental Science
Year: 2020
📄 Antifreezing hydrogel electrolyte with ternary hydrogen bonding for high‐performance zinc‐ion batteries
Authors: S. Huang, L. Hou, T. Li, Y. Jiao, P. Wu
Journal: Advanced Materials
Year: 2022
📄Immunizing aqueous Zn batteries against dendrite formation and side reactions at various temperatures via electrolyte additives
Authors: D. Feng, F. Cao, L. Hou, T. Li, Y. Jiao, P. Wu
Journal: Small
Year: 2021
📄A highly reversible neutral zinc/manganese battery for stationary energy storage
Authors: C. Xie, T. Li, C. Deng, Y. Song, H. Zhang, X. Li
Journal: Energy & Environmental Science
Year: 2020
📄 Low-cost hydrocarbon membrane enables commercial-scale flow batteries for long-duration energy storage
Authors: Z. Yuan, L. Liang, Q. Dai, T. Li, Q. Song, H. Zhang, G. Hou, X. Li
Journal: Joule
Year: 2022
📄Dendrite-free zinc-based battery with high areal capacity via the region-induced deposition effect of Turing membrane
Authors: J. Wu, C. Yuan, T. Li, Z. Yuan, H. Zhang, X. Li
Journal: Journal of the American Chemical Society
Year: 2021