Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors
Abstract
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.
- Authors:
-
[3];
[4];
[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)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1560395
- Alternate Identifier(s):
- OSTI ID: 1542521
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Materials Chemistry. A
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 29; Journal ID: ISSN 2050-7488
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Yang, Zhenzhen, Wang, Song, Zhang, Zihao, Guo, Wei, Jie, Kecheng, Hashim, Mohamed I., Miljanić, Ognjen Š., Jiang, De-en, Popovs, Ilja, and Dai, Sheng. Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors. United States: N. p., 2019.
Web. doi:10.1039/c9ta02573a.
Yang, Zhenzhen, Wang, Song, Zhang, Zihao, Guo, Wei, Jie, Kecheng, Hashim, Mohamed I., Miljanić, Ognjen Š., Jiang, De-en, Popovs, Ilja, & Dai, Sheng. Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors. United States. https://doi.org/10.1039/c9ta02573a
Yang, Zhenzhen, Wang, Song, Zhang, Zihao, Guo, Wei, Jie, Kecheng, Hashim, Mohamed I., Miljanić, Ognjen Š., Jiang, De-en, Popovs, Ilja, and Dai, Sheng. Fri .
"Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors". United States. https://doi.org/10.1039/c9ta02573a. https://www.osti.gov/servlets/purl/1560395.
@article{osti_1560395,
title = {Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors},
author = {Yang, Zhenzhen and Wang, Song and Zhang, Zihao and Guo, Wei and Jie, Kecheng and Hashim, Mohamed I. and Miljanić, Ognjen Š. and Jiang, De-en and Popovs, Ilja and Dai, Sheng},
abstractNote = {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.},
doi = {10.1039/c9ta02573a},
journal = {Journal of Materials Chemistry. A},
number = 29,
volume = 7,
place = {United States},
year = {Fri Jul 05 00:00:00 EDT 2019},
month = {Fri Jul 05 00:00:00 EDT 2019}
}
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Cited by: 37 works
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Figures / Tables:
Fig. 1: (A) Synthetic route and structure of CTF materials (CTF-3 and F12CTF-3). (B) Structures of oxygen and fluorine-bifunctionalized CTFs.
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Works referencing / citing this record:
Covalent triazine frameworks for carbon dioxide capture
journal, January 2019
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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.