Advances and Challenges in Perovskite Oxide Design for High-Performance Zinc–Air Batteries: Integrating Experimental Strategies and Machine Learning

Rechargeable zinc–air batteries (ZABs) have emerged as highly promising energy storage systems due to their exceptional theoretical energy density, high power density, cost-effectiveness, and environmental safety. The current focus of ZAB research is on developing high-performance bifunctional oxygen electrocatalysts. Among these, perovskite oxide, a transition metal oxide with tunable electronic structures and high intrinsic catalytic activity, has gained significant attention for its application in ZABs. Recently, advancements have introduced various strategies to enhance the bifunctional catalytic activity and stability of perovskite oxides. In this review, the design of perovskite oxides from both experimental and theoretical perspectives is systematically examined. The design strategy of perovskite oxides as bifunctional oxygen electrocatalysts is first summarized, including composition strategy, morphology regulation, heteroatom doping, and oxygen vacancy. Furthermore, the latest advances in machine learning screening of perovskite oxides with special properties in energy storage/conversion devices, especially ZABs, are systematically presented. Finally, the insights into the future development of perovskite oxides in ZABs are offered, aiming to provide a comprehensive guideline for the precise design of perovskite oxides in metal–air batteries.