Quantum Spin Exchange Interactions Trigger O p Band Broadening for Enhanced Aqueous Zinc‐Ion Battery Performance

• DOI: 10.1002/anie.202415997
• Publication Date: 2024-09-21T10:55:23Z
• Authors: Shiyu Wang; Shuyun Yao; Feike Zhang; Kang Ji; Yingjie Ji; Jingxian Li; Weijie Fu; Yuanming Liu; Jinghua Yang; Ruilong Liu; Jiangzhou Xie; Zhiyu Yang; Yi‐Ming Yan

Abstract The pressing demand for large‐scale energy storage solutions has propelled the development of advanced battery technologies, among which zinc‐ion batteries (ZIBs) are prominent due to their resource abundance, high capacity, and safety in aqueous environments. However, use manganese oxide cathodes ZIBs is challenged by poor electrical conductivity structural stability, stemming from intrinsic properties MnO 2 destabilizing effects ion intercalation. To overcome these limitations, our research delves into atomic‐level engineering, emphasizing quantum spin exchange interactions (QSEI). These essential modifying electronic characteristics, can significantly influence material efficiency functionality. We demonstrate through density functional theory (DFT) calculations that enhanced QSEI oxides broadens O p band, narrows band gap, optimizes both proton adsorption electron transport. Empirical evidence provided synthesis Ru−MnO nanosheets, display a marked increase achieving 314.4 mAh g −1 at 0.2 A maintaining capacity after 2000 cycles. Our findings underscore potential enhance performance TMO ZIBs, pointing new avenues advancing technology