Tuning the cavities of zirconium-based MIL-140 frameworks to modulate CO2 adsorption

A combined experimental and computational study has revealed the interplay between the framework pore size and functionality on the CO2 adsorption performance of zirconium-based MIL-140 frameworks. The CO2-sorbent interactions were markedly influenced by pore-confinement effects which arise from the pi-stacked arrangement of the ligands within the framework backbone.