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Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors

Publication Type
Journal
Journal Name
Journal of Materials Chemistry A
Publication Date
Page Numbers
17277 to 17282
Volume
7
Issue
29

Ultra-nanoporous mateUltra-nanoporous materials derived from fluorinated covalent triazine frameworks (CTFs) have been developed for highly efficient CO2 capture. A CO2 uptake capacity of 6.58 mmol g鈭�1 at 273 K, 1 bar (2.45 mmol g鈭�1 at 0.15 bar) is achieved. The excellent performance is due to the presence of ultra-micropores (0.6鈥�0.7 nm) that tightly fit CO2 and strong electrostatic interactions from the residual fluorine atoms within the framework. Both molecular simulation and deep learning study predict that CTFs with a F content of 鈭�4.8 wt% and pore size distribution around 鈭�0.7 nm can give rise to the highest CO2 uptake capacity.rials derived from fluorinated covalent triazine frameworks (CTFs) have been developed for highly efficient CO2 capture. A CO2 uptake capacity of 6.58 mmol g1 at 273 K, 1 bar (2.45 mmol g1 at 0.15 bar) is achieved. The excellent performance is due to the presence of ultra-micropores (0.6鈥�0.7 nm) that tightly fit CO2 and strong electrostatic interactions from the residual fluorine atoms within the framework. Both molecular simulation and deep learning study predict that CTFs with a F content of4.8wt% and pore size distribution around 0.7 nm can give rise to the highest CO2 uptake capacity.