Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors
Journal Article
·
· Journal of Materials Chemistry. A
- The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of California, Riverside, CA (United States)
- The Univ. of Tennessee, Knoxville, TN (United States)
- Univ. of Houston, Houston, TX (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Ultra-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–1 at 273 K, 1 bar (2.45 mmol g–1 at 0.15 bar) is achieved. The excellent performance is due to the presence of ultra-micropores (0.6–0.7 nm) that tightly fit CO2 and strong electrostatic interactions from the residual fluorine atoms within the framework. Here, both molecular simulation and deep learning study predict that CTFs with a F content of ~4.8 wt% and pore size distribution around ~0.7 nm can give rise to the highest CO2 uptake capacity.
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC05-00OR22725
- OSTI ID:
- 1560395
- Alternate ID(s):
- OSTI ID: 1542521
- Journal Information:
- Journal of Materials Chemistry. A, Vol. 7, Issue 29; ISSN 2050-7488
- Publisher:
- Royal Society of ChemistryCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 37 works
Citation information provided by
Web of Science
Web of Science
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Covalent triazine frameworks for carbon dioxide capture
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