Advanced functional MOFs for CO2 capture and separation

Abstract

The efficient capture and separation of carbon dioxide (CO₂) represents a pivotal strategy for mitigating climate change and achieving a sustainable carbon economy. Metal–organic frameworks (MOFs) have emerged as highly promising adsorbents for CO₂ separation processes, owing to their exceptional structural and chemical tunability. This review provides a comprehensive survey of the decisive impact of MOF characteristics on CO₂ adsorption and separation, by analyzing the interplay of structural (pore size and geometry) and chemical (surface functionality and open metal sites) properties in processes such as post-combustion CO₂ capture (CO₂/N₂ separation), natural gas purification (CO₂/CH₄ separation), and direct air capture. Special emphasis is placed on molecular-level design strategies to address key challenges in complex practical environments, including the presence of water vapor, competitive adsorption from other gases, and the effective capture of CO₂ at low concentrations. Finally, we critically assess the ongoing challenges regarding chemical stability, scalable production, and economic viability, offering a perspective on the future development of next-generation MOFs for real-world carbon capture applications.