An Ultrastable Metal Azolate Framework with Binding Pockets for Optimal Carbon Dioxide Capture

In the evolution of metal-organic frameworks (MOFs) for carbon capture, a lasting challenge is to strike a balance between high uptake capacity/selectivity and low energy cost for regeneration. Meanwhile, these man-made materials have to survive from practical demands such as stability under harsh conditions and feasibility of scale-up synthesis. Reported here is a new MOF, Zn(imPim) (aka. MAF-stu-1), with an imidazole derivative ligand, featuring binding pockets that can accommodate CO2 molecules in a fit-like-a-glove manner. Such a high degree of shape complementarity allows direct observation of the loaded CO2 in the pockets, and warrants its optimal carbon capture performances exceeding the best-performing MOFs nowadays. Coupled with the record thermal (up to 680 °C) and chemical stability, as well as rapid large-scale production, both encoded in the material design, Zn(imPim) represents a most competitive candidate to tackle the immediate problems of carbon dioxide capture.