Structure‐property Relationship of Double Perovskite Oxide towards Trifunctional Electrocatalytic Activity: Strategy for Designing and Development

Abstract In the present scenario, the paramount significant roles of various heterogeneous catalysts stimulate the modern technologies to underpin the benchmark requirements for the generation of sustainable energy by reducing toxic fossil fuel emissions. Such critical role necessitates further development of cost‐effective highly efficient and earth‐abundant multifunctional or trifunctional electrocatalysts to promote the advancement of electrochemical overall water splitting performances, yet it is extremely desirable. In this review context, we present the development of double perovskite (DP) oxides as robust trifunctional catalysts for electrochemical oxygen evolution reaction (OER), oxygen reduction reaction (ORR) and hydrogen evolution reactions (HER) by rational design of multiple cationic redox sites with stoichiometric oxygen amount. Particularly, we highlight the importance of the structural modifications via doping, surface structure and oxygen stoichiometry as key parameters to tune the electrocatalytic activities and understand the insight into activity and mechanism of this oxide family. This perspective also describes controlled synthesis protocols including the surface structure of double perovskite oxides are key techniques for realizing a correlation between structure‐activity relationships of these materials. Finally, it is concluded by outlining the several aspects of optimization strategies and computational opportunities can expand the future scope of double perovskite oxides as robust trifunctional electrocatalysts.