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Abstract Organic–inorganic hybrid materials (OIHMs) have emerged as a versatile platform for electrocatalysis owing to their tunable structures and the synergistic coupling between organic and inorganic components. Despite rapid advances, a unified understanding that bridges structural configuration regulation with catalytic mechanisms remains insufficient. Distinct from previous reviews that primarily classify materials or focus on specific reactions, this work highlights the intrinsic relationships between structure and function that govern the electrocatalytic behavior of OIHMs. Recent progress in compositional design and structural engineering strategies is first summarized, emphasizing how molecular tailoring and interfacial modulation jointly dictate activity and stability. The catalytic mechanisms are then discussed across representative reactions, including the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and carbon dioxide reduction reaction (CO 2 RR), as well as emerging electrocatalytic systems, with particular attention to active site construction, interfacial synergy, and spatial structural regulation. Finally, future opportunities are proposed for the rational design of next‐generation hybrid materials, the integration of advanced in situ characterization with theoretical modeling, and the development of sustainable and scalable synthesis approaches to accelerate the practical deployment of OIHMs in advanced electrocatalytic energy systems.
Kong et al. (Wed,) studied this question.