Architecting Metal-Organic Frameworks at Molecular Level toward Direct Air Capture

Zi Ming Ye; Yi Xie; Kent O. Kirlikovali; Shengchang Xiang; Omar K. Farha; Banglin Chen

doi:10.1021/jacs.4c12200

Architecting Metal-Organic Frameworks at Molecular Level toward Direct Air Capture

Zi Ming Ye, Yi Xie, Kent O. Kirlikovali, Shengchang Xiang, Omar K. Farha^*, Banglin Chen^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Review article › peer-review

5 Scopus citations

Abstract

Escalating carbon dioxide (CO₂) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as a promising approach to achieving a net-zero carbon future, which offers several practical advantages, such as independence from specific CO₂ emission sources, economic feasibility, flexible deployment, and minimal risk of CO₂ leakage. The design and optimization of DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order and tunable pore sizes, present an ideal solution for achieving strong guest-host interactions under trace CO₂ conditions. This perspective highlights recent advancements in using MOFs for DAC, examines the molecular-level effects of water vapor on trace CO₂ capture, reviews data-driven computational screening methods to develop a molecularly programmable MOF platform for identifying optimal DAC sorbents, and discusses scale-up and cost of MOFs for DAC.

Original language	English (US)
Pages (from-to)	5495-5514
Number of pages	20
Journal	Journal of the American Chemical Society
Volume	147
Issue number	7
DOIs	https://doi.org/10.1021/jacs.4c12200
State	Published - Feb 19 2025

Funding

B. C. and S. X. acknowledge the National Natural Science Foundation of China (No. 22373015, W2431013) and the Foundation of National Key Laboratory of Human Factors Engineering (Grant HFNKL2023WW04). O.K.F. acknowledges support from the National Science Foundation under grant no. 2119433. Z.-M. Y. acknowledges the China Postdoctoral Science Foundation (2024M750468) and the Postdoctoral Fellowship Program of CPSF (GZC20230451).

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1021/jacs.4c12200

Cite this

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title = "Architecting Metal-Organic Frameworks at Molecular Level toward Direct Air Capture",

abstract = "Escalating carbon dioxide (CO2) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as a promising approach to achieving a net-zero carbon future, which offers several practical advantages, such as independence from specific CO2 emission sources, economic feasibility, flexible deployment, and minimal risk of CO2 leakage. The design and optimization of DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order and tunable pore sizes, present an ideal solution for achieving strong guest-host interactions under trace CO2 conditions. This perspective highlights recent advancements in using MOFs for DAC, examines the molecular-level effects of water vapor on trace CO2 capture, reviews data-driven computational screening methods to develop a molecularly programmable MOF platform for identifying optimal DAC sorbents, and discusses scale-up and cost of MOFs for DAC.",

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AU - Ye, Zi Ming

AU - Xie, Yi

AU - Kirlikovali, Kent O.

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AU - Farha, Omar K.

AU - Chen, Banglin

PY - 2025/2/19

Y1 - 2025/2/19

N2 - Escalating carbon dioxide (CO2) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as a promising approach to achieving a net-zero carbon future, which offers several practical advantages, such as independence from specific CO2 emission sources, economic feasibility, flexible deployment, and minimal risk of CO2 leakage. The design and optimization of DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order and tunable pore sizes, present an ideal solution for achieving strong guest-host interactions under trace CO2 conditions. This perspective highlights recent advancements in using MOFs for DAC, examines the molecular-level effects of water vapor on trace CO2 capture, reviews data-driven computational screening methods to develop a molecularly programmable MOF platform for identifying optimal DAC sorbents, and discusses scale-up and cost of MOFs for DAC.

AB - Escalating carbon dioxide (CO2) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as a promising approach to achieving a net-zero carbon future, which offers several practical advantages, such as independence from specific CO2 emission sources, economic feasibility, flexible deployment, and minimal risk of CO2 leakage. The design and optimization of DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order and tunable pore sizes, present an ideal solution for achieving strong guest-host interactions under trace CO2 conditions. This perspective highlights recent advancements in using MOFs for DAC, examines the molecular-level effects of water vapor on trace CO2 capture, reviews data-driven computational screening methods to develop a molecularly programmable MOF platform for identifying optimal DAC sorbents, and discusses scale-up and cost of MOFs for DAC.

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Architecting Metal-Organic Frameworks at Molecular Level toward Direct Air Capture

Abstract

Funding

ASJC Scopus subject areas

UN SDGs

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