Review on applications of metal–organic frameworks for CO₂ capture and the performance enhancement mechanisms

Concern about global warming has led to substantial global-scale efforts to remove CO₂ from both emission sources and the atmosphere. Metal–organic frameworks, which may be considered a new class of porous materials, exhibit a high working capacity at low CO₂ concentrations, owing to their ultrahigh surface area as well as large inner spaces and exterior channels. In this study, diverse of metal–organic frameworks have been clearly presented, including the definitions, origin of the nomenclatures, and development and synthesis methods. Furthermore, research efforts on MOF-based CO₂ adsorption and storage have been reviewed, including the CO₂ uptake capacity, gas molecule diffusivity, adsorption heat, and binding sites. We also review the numerical methods employed in the visualization of the CO₂ adsorption process in MOFs and suggest some features of simulations for comparison with experiments. Finally, a new viewpoint on the adsorption mechanisms of CO₂ on MOFs is proposed based on our own research; to this end, the CO₂ adsorption isotherms and self-diffusion coefficients of a series of chemically similar MOFs are carefully discussed.