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Updated: Sep 12, 2025

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Electrostatic Potential-Dominated Weak Solvation Chemistry for Synergistic Optimization of V2O5 Cathode and Zn Anode
Jingzhu Chen1,2, Fan Bu1,2, Qinghe Cao1,2
1Institute of Flexible Electronics, Northwestern Polytechnical University, Xi'an, 710072, China.
None:
Practical aqueous zinc-ion batteries face severe challenges from cathodic dissolution and anodic dendrite growth. Herein, we report a novel electrostatic potential-dominated weakly solvated electrolyte that correlates molecular charge anisotropy with both solvation thermodynamics and interfacial passivation kinetics. By regulating the electrostatic force among Zn2+, H2O, and weak solvent, the attack ability of free water on vanadium oxide is efficiently reduced, and the vanadium dissolution is effectively prohibited. Simultaneously, the modified solvating structure induces a dense and inorganic-rich solid electrolyte interface, promoting uniform zinc deposition and suppressing side reactions. Benefiting from such synergistic optimization, the developed zinc-ion battery achieves a high capacity of 410 mAh g-1 and maintains 80% of the capacity after 650 cycles at 0.5 A g-1. Stable Ah-level pouch cell with high energy density (138 Wh kg-1, based on electrode mass; 36.3 Wh kg-1, based on full cell) is also achieved, paving a promising way for practical applications.
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