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.