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

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

doi:10.1039/c9ta02573a

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

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

Nanomaterials Chemistry Group

Research output: Contribution to journal › Article › peer-review

50 Scopus citations

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. 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.

Original language	English
Pages (from-to)	17277-17282
Number of pages	6
Journal	Journal of Materials Chemistry A
Volume	7
Issue number	29
DOIs	https://doi.org/10.1039/c9ta02573a
State	Published - 2019

Funding

The research was supported nancially by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences and US Department of Energy. O. ˇS. M. and M. I. H. acknowledge generous nancial support from the the Welch Foundation (grant E-1768) and the National Science Foundation (grant DMR-1507664).

Funders	Funder number
Office of Basic Energy Sciences
US Department of Energy
National Science Foundation	DMR-1507664
National Science Foundation
Welch Foundation	E-1768
Welch Foundation
Chemical Sciences, Geosciences, and Biosciences Division

UN SDGs

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10.1039/c9ta02573a

Cite this

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title = "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. 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.",

author = "Zhenzhen Yang and Song Wang and Zihao Zhang and Wei Guo and Kecheng Jie and Hashim, {Mohamed I.} and Ognjen Miljani{\'c} and Jiang, {De En} and Ilja Popovs and Sheng Dai",

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T1 - Influence of fluorination on CO2 adsorption in materials derived from fluorinated covalent triazine framework precursors

AU - Yang, Zhenzhen

AU - Wang, Song

AU - Zhang, Zihao

AU - Guo, Wei

AU - Jie, Kecheng

AU - Hashim, Mohamed I.

AU - Miljanić, Ognjen

AU - Jiang, De En

AU - Popovs, Ilja

AU - Dai, Sheng

PY - 2019

Y1 - 2019

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AB - 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. 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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