Recent advances in metal-engineered graphdiyne catalysts for sustainable energy conversion

Metal-engineered graphdiyne (GDY) has emerged as a promising carbon platform for advanced catalytic systems owing to its unique sp/sp 2 -hybridized framework, highly conjugated electronic structure, and abundant acetylenic linkages that enable efficient metal anchoring and interfacial charge regulation. Incorporating metallic species, including nanoparticles, subnanometer clusters, single atoms, and dual-atom configurations, substantially tailors the physicochemical properties of GDY, leading to enhanced catalytic activity, charge-transfer efficiency, reaction selectivity, and operational stability. This review systematically summarizes the structural characteristics of GDY, fundamental metal-support interactions, and recent synthetic strategies for constructing metal-functionalized GDY architectures. Furthermore, we discuss the mechanistic roles of engineered metal species in governing adsorption behavior, electronic redistribution, intermediate stabilization, and catalytic pathways across photocatalytic, and electrocatalytic processes, including H 2 evolution, O 2 evolution, O 2 reduction, N 2 reduction, and CO 2 conversion. Finally, current challenges and future opportunities are critically evaluated, providing fundamental design principles for developing highly efficient metal-modified GDY catalysts and accelerating sustainable energy conversion and environmental technologies through interdisciplinary innovation.