Manganese–Based Metal–Organic Coordination for Aqueous Zinc–Ion Batteries With Varying Mechanical Adaptability and Machine Learning–Assisted Performance Decoding Article Swipe
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· 2025
· Open Access
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· DOI: https://doi.org/10.1002/adma.202507951
· OA: W4411374613
Aqueous zinc–ion batteries (AZIBs) have garnered significant attention owing to their high safety and low cost; however, their development is hindered by the poor cycling stability and low capacity of traditional inorganic cathode materials. This study innovatively utilizes dihydroxy/diamino anthraquinone (DHAQ/DAAQ) ligands featuring π–conjugated systems and quinone–based redox activity. By precisely regulating the substitution sites (1,2–/1,4–/1,5–) and coordinating them with Mn 2+ , layered flower−cluster Manganese–based metal–organic coordination is successfully constructed. The experimental results indicated that in the Mn−1,4−DHAQ cathode, the symmetric structure of the 1,4–dihydroxy substitution promoted electron delocalization and formed stable coordination bonds with Mn 2+ , thereby providing excellent electrochemical performance. Furthermore, both in situ and ex situ characterizations elucidated the Zn 2+ storage mechanism during charge–discharge processes. Notably, this work incorporated machine learning techniques to develop a specific capacity prediction model, laying a methodological foundation for future research in the field of energy storage. Theoretical calculations are employed to gain deeper insight into the underlying reasons for the outstanding performance of Mn−1,4−DHAQ. In addition, Mn−1,4−DHAQ is successfully applied as a cathode material in soft−pack batteries, gel electrolyte devices, and screen−printed devices, demonstrating excellent mechanical adaptability and practical application potential. Novel strategy for high−performance MOC–based AZIBs boosts practical energy storage applications.
