Recent Advances and Mechanistic Insights Into CO ₂ Capture and Photocatalytic Conversion Using Emerging 2D Nanomaterials

The photocatalytic conversion of CO ₂ into sustainable fuels is a key strategy for mitigating climate change and meeting energy demands. This review comprehensively covers recent progress in CO ₂ capture and photoreduction using advanced two‐dimensional (2D) materials, including g‐C ₃ N ₄ , graphene‐based photocatalysts, MXenes, transition metal dichalcogenides (TMDs), bismuth oxyhalides (BiOX), porous metal–organic frameworks (MOFs), covalent organic frameworks (COFs), and hydrogen‐bonded organic frameworks (HOFs). These materials exhibit high surface area, tunable band structures, and strong interfacial interactions, enabling efficient CO ₂ adsorption, light absorption, and charge‐carrier separation. The roles of heterostructure engineering, defect modulation, cocatalysts, and surface functionalization in enhancing photocatalytic performance are critically analyzed. Particular emphasis is placed on charge–transfer pathways, the coupling between CO ₂ capture and photocatalytic conversion, and the stabilization of key reaction intermediates. Key parameters influencing catalytic efficiency, including band alignment, adsorption affinity, intermediate‐binding strength, reaction conditions, and product desorption, are systematically discussed. Furthermore, synergistic integration of semiconductors with porous frameworks is emerging as a strategy to optimize both adsorption and catalytic processes. Despite significant progress, challenges related to stability, scalability, standard benchmarking, and product selectivity remain. Finally, future directions incorporating operando characterization, density functional theory, and artificial intelligence‐guided modeling are proposed to accelerate catalyst discovery and rational design.