MXene- and MOF-based single-atom catalysts for next-generation batteries chemistry: A synergy of experimental and theoretical insights

Metal-ion batteries (MIBs) play pivotal roles in various energy storage applications, necessitating the continuing advancement of materials and technologies that enhance their performance. In recent years, single atoms (SAs) on MXene and MOF-derived SAs have emerged as promising candidates for revolutionizing MIBs, metal-chalcogenide (MCBs), and metal-air batteries (MABs). These catalysts possess unique atomic-level structures and remarkable electrochemical properties, showcasing significant potential for improving energy density, cycling life, and charge/discharge efficiency. This review focuses on the principles, synthesis strategies, performance, and potential applications of MXene- and MOF-based SA catalysts for use in MIB-based energy-storage applications by highlighting MIB-catalyst challenges and advancements and emphasizing their significance for enhancing battery performance. We discuss how MXene- and MOF-based SA catalysts (SACs) contribute to improving MIB, MCB, and MAB performance, as well as how these catalysts enhance electrochemical parameters such as energy density, cycling life, and charge/discharge efficiency. Furthermore, theoretical reaction-mechanism investigations are presented, shedding light on the underlying processes that contribute to improved battery performance. Moreover, practical implications, existing challenges, and potential future research directions are discussed, thereby highlighting the promising applications of SAs on MXene and MOF-derived SACs for use in electrochemical energy storage systems.