Scientific mismatch unlocks scalable carbon capture material

Researchers investigating carbon capture materials have turned a surprising mismatch between computational simulations and laboratory experiments into a breakthrough for scalable carbon dioxide removal. The study, led by Professor Laura Gagliardi’s team at the University of Chicago and experimentalists including Nobel laureate Omar Yaghi at UC Berkeley, focused on Covalent Organic Frameworks (COFs), porous crystalline materials designed to trap CO2 from the air. While simulations predicted strong performance, experimental results showed reduced effectiveness. Upon closer examination, the team discovered that residual water molecules remained trapped within the COF pores despite efforts to fully dry the materials, blocking carbon capture sites and diminishing performance. This insight led to a key design innovation: engineering the COF pores to be hydrophobic, thereby repelling water and preventing site blockage. This adjustment enhances the material’s ability to capture carbon efficiently and avoids unwanted side reactions. Additionally, the research clarified that structural irregularities observed in the materials, such as buckling and lattice contraction, are intrinsic properties rather than defects,