Mechanistic and Structural Insights into MOF-based Photocatalysts for Selective CO2 Reduction

Abstract

Metal-organic frameworks (MOFs) and their derivatives have emerged as a promising platform for photocatalytic CO2 reduction due to their tunable porosity, adjustable electronic structures, and abundant active sites. This review offers a thorough examination of the latest advancements in MOF-based photocatalysts for selective CO2 conversion. It is notable for its emphasis on fundamental reaction mechanisms, including photogenerated charge separation and CO₂ activation pathways, which govern catalytic efficiency and selectivity. The review places particular emphasis on structural design strategies and modification techniques, including heteroatom doping, metal node engineering, and hybridization. These techniques enhance light absorption and promote targeted product formation. The selective formation of C1 products (e.g. CO, CH4, HCOOH) and C2+ products (e.g. C2H4, C2H5OH) is discussed in detail, along with structure-activity relationships. The objective of this review is to furnish mechanistic insights and guidance for the rational design of next-generation MOF-derived photocatalysts, with the aim of enabling efficient and selective solar-to-chemical CO2 conversion.