Heteroatom‐Doped Graphdiynes and Their Applications in Photo‐/Electro‐Catalytic CO ₂ Conversion

Heteroatom‐doped catalysts have garnered great attention due to their enhanced physicochemical properties, including expanded light absorption range, better charge separation and transfer efficiency, superior surface catalytic activity, and greater chemical stability in photocatalytic applications, as well as enhanced electrical conductivity and higher product selectivity in electrocatalysis. The incorporation of heteroatoms, such as non‐metallic elements (e.g., B, P, S, N, Cl, F, and Si) and metallic elements (e.g., Au, Ag, Hg, Ni, Cu, Pd, Pt, and Fe) into two dimensional (2D)‐carbon materials such as graphdiyne (GDY) can significantly optimize their atomic utilization and catalytic activity. This review systematically summarizes the diverse types of heteroatom‐doped GDY materials, their structural characteristics, and synthesis strategies. Furthermore, we highlight their applications in photo‐ and electro‐catalytic CO 2 reduction reaction (CO 2 RR), elucidating the underlying catalytic mechanisms. Additionally, we discuss the design principles for high‐performance doped GDY‐based catalysts, tackling existing challenges and exploring possible approaches for future advancement. By emphasizing the pivotal role of heteroatom doping in 2D carbon nanomaterials, this review provides valuable insights into the rational design of efficient and sustainable catalysts for energy conversion. These advancements are critical for accelerating the commercialization of such technologies and fostering interdisciplinary research, thereby inspiring innovative approaches and driving further progress in the field.