Manganese–Based Metal–Organic Coordination for Aqueous Zinc–Ion Batteries With Varying Mechanical Adaptability and Machine Learning–Assisted Performance Decoding

作者：Qian Li, Yanfei Zhang, Wanchang Feng, Jianfei Huang, Shengxu Wei, Guo Chen, Yiwen Liu, Meng Du, Chenhui Yin, Zhangbin Yang, Yang Sun, Shuai Cao, Chengang Pei, Hsiao-Chien Chen, Huan Pang · 发表于：Advances in Materials · 年份：2025 · DOI：10.1002/adma.202507951 · 被引用次数：39 · 研究领域：Medicine

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 Mn2+, 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 Mn2+, thereby providing excellent electrochemical performance. Furthermore, both in situ and ex situ characterizations elucidated the Zn2+ 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 adaptab...