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

Yang, Zhenzhen; Wang, Song; Zhang, Zihao; Guo, Wei; Jie, Kecheng; Hashim, Mohamed I.; Miljanić, Ognjen Š.; Jiang, De-en; Popovs, Ilja; Dai, Sheng

doi:10.1039/c9ta02573a

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

Journal Article · 05 July 2019 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/c9ta02573a · OSTI ID:1560395

Yang, Zhenzhen ^[1]; Wang, Song ^[2]; Zhang, Zihao ^[3]; Guo, Wei ^[3];

^[3]; Hashim, Mohamed I. ^[4];

^[4]; Jiang, De-en ^[2];

^[5];

^[1]

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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1560395

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 29 Vol. 7; ISSN JMCAET; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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