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Updated: Apr 16, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Unlocking a Novel Pathway for Rapidly Generating Effective Solid Electrolyte Interface Layer Inspired by tRNA Working
Jie Yang1, Shuang Hou1, Zicong Huang1
1School of Semiconductor Science and Technology, South China Normal University, Foshan, Guangdong, China.
Abstract:
In situ fabrication of a timely Solid Electrolyte Interface (SEI) layer serves as a strategic approach for improving the charge storage performance in aqueous zinc-metal batteries (AZMBs). Inspired by the recognition and delivery mechanism of transfer RNA (tRNA), the SEI layer was swiftly in situ fabricated during the initial stage of battery operation by the constructing OTf- anion-porters, optimizing the interfacial chemistry of the Zn anode. Specifically, benzyltriethylammonium tetrafluoroborate (BT) was introduced into 1 M Zinc trifluoromethanesulfonate (Zn(OTf)2) electrolyte, the positively charged BT cations interacted with OTf- anions through electrostatic attraction. Where this BT@OTf- group reduced the Coulomb repulsion between OTf- and the Zn anode, favoring the decomposition of OTf- anions into a robust SEI layer at Zn2+ plating process. The thus-derived Zn‖Zn symmetric cell delivered a high cumulative capacity of 7 Ah cm-2 under 10 mAh cm-2, while demonstrated stable operation for over 3600 h at 1 mA cm-2 for 1 mAh cm-2. Additionally, the Zn-Br2 full battery demonstrated an excellent capacity retention rate of 97.4% after 2000 cycles, as well as achieved long-term lifespan over 1500 cycles at Negative/Potisive (N/P) ratio of 2.7. This work presented a biomimetic mechanism for fabricating SEI layer tailored in viable zinc-metal battery applications.
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