Rational design of organic ligands for metal–organic frameworks as electrocatalysts for CO2 reduction

Abstract

Electrocatalytic carbon dioxide (CO₂) reduction to valuable chemical compounds is a sustainable technology with enormous potential to facilitate carbon neutrality by transforming intermittent energy sources into stable fuels. Among various electrocatalysts, metal–organic frameworks (MOFs) have garnered increasing attention for the electrochemical CO₂ reduction reaction (CO₂RR) owing to their structural diversity, large surface area, high porosity and tunable chemical properties. Ligands play a vital role in MOFs, which can regulate the electronic structure and chemical environment of metal centers of MOFs, thereby influencing the activity and selectivity of products. This feature article discusses the strategies for the rational design of ligands and their impact on the CO₂RR performance of MOFs to establish a structure–performance relationship. Finally, critical challenges and potential opportunities for MOFs with different ligand types in the CO₂RR are mentioned with the aim to inspire the targeted design of advanced MOF catalysts in the future to achieve efficient electrocatalytic CO₂ conversion.