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

Journal Article · · Journal of Materials Chemistry. A
DOI: https://doi.org/10.1039/c9ta02573a · OSTI ID:1560395

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
Citation Metrics:
Cited by: 37 works
Citation information provided by
Web of Science

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Cited By (2)

A rose bengal-functionalized porous organic polymer for carboxylative cyclization of propargyl alcohols with CO 2 journal January 2019
Covalent triazine frameworks for carbon dioxide capture journal January 2019

Figures / Tables (3)