32. Engineering of an Isoreticular Series of CALF-20 Metal−Organic Frameworks for CO2 Capture

Abstract : A series of linker-substituted ultramicroporous CALF-20 metal−organic frameworks (MOFs) were built in silico, and their CO2 capture performances over N 2 in flue gas conditions were systematically computationally explored. Among the various linker substitutions explored, squarate-linker-incorporated CALF-20 (SquCALF-20) was demonstrated to show a larger CO 2 uptake at 0.15 bar (3.6 mmol/g) and higher etc...
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