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Multi-Agent-Network-Based Idea Generator for Zinc-Ion Battery Electrolyte Discovery : A Case Study on Zinc Tetrafluoroborate Hydrate-Based Deep Eutectic Electrolytes

DOI zum Zitieren der Version auf EPub Bayreuth: https://doi.org/10.15495/EPub_UBT_00008997
URN to cite this document: urn:nbn:de:bvb:703-epub-8997-0

Title data

Robson, Matthew J. ; Xu, Shengjun ; Wang, Zilong ; Chen, Qing ; Ciucci, Francesco:
Multi-Agent-Network-Based Idea Generator for Zinc-Ion Battery Electrolyte Discovery : A Case Study on Zinc Tetrafluoroborate Hydrate-Based Deep Eutectic Electrolytes.
In: Advanced Materials. Vol. 37 (2025) Issue 32 . - 2502649.
ISSN 1521-4095
DOI der Verlagsversion: https://doi.org/10.1002/adma.202502649

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Abstract

Aqueous deep eutectic electrolytes (DEEs) offer great potential for low-cost zinc-ion batteries but often have limited performance. Discovering new electrolytes is therefore crucial, yet time-consuming and resource-intensive. In response, this work presents a Large Language Model (LLM)-based multi-agent network that proposes DEE compositions for zinc-ion batteries. By analyzing academic papers from the DEE field, the network identifies innovative, inexpensive, and sustainable Lewis bases to pair with Zn(BF4)2·xH2O. A Zn(BF4)2·xH2O-ethylene carbonate (EC) system demonstrates high conductivity (10.6 mS cm?1) and a wide electrochemical stability window (2.37 V). The optimized electrolyte enables stable zinc stripping/plating, achieves outstanding rate performance (81 mAh g?1 at 5 A g?1), and supports 4000 cycles in Zn||polyaniline cells at 3 A g?1. Spectroscopic analyses and simulations reveal that EC coordinates to Zn2+, mitigating water-induced corrosion, while a fluorine-rich hybrid organic/inorganic solid electrolyte interphase enhances stability. This work showcases a pioneering LLM-driven approach to electrolyte development, establishing a new paradigm in materials research.

Further data

Item Type: Article in a journal
Keywords: batteries; eutectic electrolytes; large language models
DDC Subjects: 600 Technology, medicine, applied sciences > 620 Engineering
Institutions of the University: Faculties > Faculty of Engineering Science > Chair Electrode Design of Electrochemical Energy Storage Systems > Chair Electrode Design of Electrochemical Energy Storage Systems - Univ.-Prof. Dr. Francesco Ciucci
Research Institutions > Central research institutes > Bayerisches Zentrum für Batterietechnik - BayBatt
Faculties
Faculties > Faculty of Engineering Science
Faculties > Faculty of Engineering Science > Chair Electrode Design of Electrochemical Energy Storage Systems
Research Institutions
Research Institutions > Central research institutes
Language: English
Originates at UBT: Yes
URN: urn:nbn:de:bvb:703-epub-8997-0
Date Deposited: 17 Mar 2026 11:19
Last Modified: 17 Mar 2026 11:19
URI: https://epub.uni-bayreuth.de/id/eprint/8997

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