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Metal–organic frameworks functionalization for direct air capture

Published online by Cambridge University Press:  16 October 2026

Yuying Feng
Affiliation:
The University of Melbourne Faculty of Engineering and Information Technology , Australia
Lei Dong
Affiliation:
The University of Melbourne Faculty of Engineering and Information Technology , Australia
Adrian Chun Minh Loy
Affiliation:
The University of Melbourne Faculty of Engineering and Information Technology , Australia
Ali Zavabeti
Affiliation:
The University of Melbourne Faculty of Engineering and Information Technology , Australia
Gang Kevin Li*
Affiliation:
The University of Melbourne Faculty of Engineering and Information Technology , Australia
*
Corresponding author: Gang Kevin Li; Email: li.g@unimelb.edu.au
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Abstract

Content of image described in text.

The rapid rise in atmospheric carbon dioxide (CO2) levels has led to severe global warming issues in the twenty-first century. To address this issue, direct air capture (DAC) is one of the most promising negative-emission technologies for achieving a carbon-neutral environment in the near future. Metal–organic frameworks (MOFs), with their high porosity and tunability in enhancing adsorption capabilities, have gained prominence as a promising sorbent candidate for CO2 capture. This review article aims to: a) briefly outline the most recent developments of MOFs directly targeted for DAC applications; b) provide a comprehensive review of the various classes of MOFs, such as hydroxy-rich, amine-functionalized and MOFs with open-metal sites that can enhance compelling DAC efficiency and c) provide insights into the key challenges and future perspectives in the development of an MOF material that is cost-effective, high-performing and with great durability in the pathway of achieving carbon neutrality toward real-life DAC applications.

Information

Type
Review
Creative Commons
Creative Common License - CCCreative Common License - BY
This is an Open Access article, distributed under the terms of the Creative Commons Attribution licence (http://creativecommons.org/licenses/by/4.0), which permits unrestricted re-use, distribution and reproduction, provided the original article is properly cited
Copyright
© The Author(s), 2026. Published by Cambridge University Press
Figure 0

Figure 1. Simple illustration represented by the metal ions and organic linker molecules in the formation of MOFs. (Crystallography diagrams reproduced from (Li et al., 1999), (Lin et al., 2016; Elorriaga et al., 2021; Siegelman et al., 2021) (Self-produced).Figure 1 long description.

Figure 1

Figure 2. Brief timeline of the development in MOFs and their desired applications (Self-produced).Figure 2 long description.

Figure 2

Table 1. Summary table outlining all the MOFs used for CO2 adsorption classified into their different experimental conditionsTable 1. long description.

Figure 3

Table 2. Summary table of some of the most promising strategies in designing MOFs used in DAC applicationsTable 2. long description.

Author comment: Metal–organic frameworks functionalization for direct air capture — R0/PR1

Comments

A/Prof. Gang Kevin Li

Department of Chemical Engineering

The University of Melbourne

Parkville VIC 3010

Melbourne, Victoria, 3000

Email: li.g@unimelb.edu.au

Date: 10 March 2026

To:

Prof. Jin Shang

Co-Editor-in-Chief

Cambridge Prisms: Carbon Technologies

Subject: Cover Letter for Invited Review Article Submission — “Metal-Organic Frameworks (MOFs) Functionalization for Direct Air Capture”

Dear Prof. Shang,

I am writing in response to your kind invitation to submit a manuscript to Cambridge Prisms: Carbon Technologies. Please find enclosed our invited review article entitled “Metal-Organic Frameworks (MOFs) Functionalization for Direct Air Capture”, which we are pleased to submit for consideration in your journal.

This review discusses the emerging role of Metal-Organic Frameworks (MOFs) in advancing Direct Air Capture (DAC)technologies, which are critical for achieving carbon neutrality. Specifically, the article:

(a) outlines the most recent developments of MOFs designed for DAC applications;

(b) provides a comprehensive review of key MOF classes—hydroxy-rich, amine-functionalized, and those featuring open-metal-sites (OMS)—that contribute to enhanced CO₂ capture efficiency; and

(c) presents insights into the current challenges and future directions for developing MOFs that are cost-effective, high-performing, and durable for real-life DAC implementation.

We believe this review will be of particular interest to readers of Cambridge Prisms: Carbon Technologies, as it offers a timely and in-depth overview of MOF functionalization strategies for sustainable carbon capture.

All authors have read and approved the final version of this manuscript and confirm that it has not been published elsewhere and is not under consideration by any other journal. We sincerely appreciate the opportunity to contribute to Cambridge Prisms: Carbon Technologies and look forward to your consideration of our submission.

Thank you very much for your time and attention.

Sincerely,

A/Prof. Gang Kevin Li

Department of Chemical Engineering

The University of Melbourne

Email: li.g@unimelb.edu.au

Review: Metal–organic frameworks functionalization for direct air capture — R0/PR2

Conflict of interest statement

Reviewer declares none.

Comments

The authors have presented a review focusing on the functionalization of Metal-Organic Frameworks (MOFs) for Direct Air Capture (DAC). The selected topic is cutting-edge and will make contributions to the fields of coordination chemistry, materials science, and environmental science. However, there are significant factual errors in the historical elaboration section of the manuscript. Without revising these errors, I cannot recommend this paper for acceptance in this journal. The specific comments are as follows:

1. Regarding the historical part of MOFs: The groundbreaking work of Prof. Susumu Kitagawa, published in Angew Chem Int Edit (1997; 36: 1725), which first demonstrated that MOFs could maintain their porous structure without collapse during gas adsorption and desorption, has been completely overlooked. Notably, the MOF involved in this work is not HKUST-1, but {[M₂(4, 4′-bpy)₃(NO₃)₄]·xH₂O}ₙ (M=Co, Ni, Zn). This is a fact certified by the Nobel Prize Committee and marks the origin of the subsequent series of flexible MOFs or “soft porous crystals”. The misrepresentation in this manuscript is inaccurate, unfair, and biased. Additionally, Prof. Omar Yaghi first proposed the concept of MOFs in the early 1990s, not 1999. MOF-5, in fact, is the first MOF that is both stable and has a high specific surface area; it marks the starting point of his proposed “reticular chemistry” and is one of the key works that led to his Nobel Prize award. Details can be checked in the comment paper published in hLife 2025, 4(2), 63-66.

2. The text on the tables is excessively small, making it completely illegible. It is recommended that the authors adjust the typesetting (e.g., increasing font size and optimizing table layout) to improve the readability of the table contents.

3. The outlook section is relatively plain in the current version. More in-depth discussions of the future development trends, potential challenges, and practical application prospects of MOF functionalization for DAC would provide readers with more inspiration.

Review: Metal–organic frameworks functionalization for direct air capture — R0/PR3

Conflict of interest statement

Reviewer declares none.

Comments

This manuscript presents a timely and well-organized review on the potential of metal–organic frameworks (MOFs) as alternative solid adsorbents for direct air capture (DAC). Overall, the manuscript provides a useful overview of the field and effectively conveys the importance of MOF tunability in designing advanced DAC materials. The comparative perspective across multiple functionalization strategies is particularly valuable for readers seeking a broad understanding of current research trends. However, several aspects could be further improved to enhance the scientific depth and practical relevance of the review.

1. The level of detail across different functionalization strategies appears somewhat unbalanced. While amine-functionalized MOFs are discussed in considerable depth, other approaches—such as fluorinated MOFs, OMS-based systems, and hydroxyl-functionalized materials—are treated more briefly. A more balanced discussion would improve the overall completeness of the review.

2. The manuscript would benefit from a more systematic comparison of the effectiveness of each functionalization strategy under realistic DAC conditions. In particular, a clearer evaluation under low CO2 concentrations and humid environments would significantly strengthen the practical relevance.

3. Considerations related to scalability, economic feasibility, and commercialization potential are also relatively limited and should be addressed in more detail.

4. In Section 2.1, although the general advantages and disadvantages of various functionalization strategies are introduced, there is a lack of detailed comparative analysis regarding which approaches are most suitable under specific DAC operating conditions (e.g., humidity and temperature). Incorporating a more condition-dependent or quantitative comparison would greatly improve the usefulness of this section.

Recommendation: Metal–organic frameworks functionalization for direct air capture — R0/PR4

Comments

No accompanying comment.

Decision: Metal–organic frameworks functionalization for direct air capture — R0/PR5

Comments

No accompanying comment.

Author comment: Metal–organic frameworks functionalization for direct air capture — R1/PR6

Comments

A/Prof. Gang Kevin Li

Department of Chemical Engineering

The University of Melbourne

Parkville VIC 3010

Melbourne, Victoria, 3000

Email: li.g@unimelb.edu.au

Date: 23 June 2026

To:

Prof. Jin Shang

Co-Editor-in-Chief

Cambridge Prisms: Carbon Technologies

Subject: Cover Letter for Invited Review Article Submission — “Metal-Organic Frameworks (MOFs) Functionalization for Direct Air Capture”

Dear Prof. Shang,

I am writing in response to your kind invitation to submit a revised manuscript to Cambridge Prisms: Carbon Technologies. Please find enclosed our invited review article entitled “Metal-Organic Frameworks (MOFs) Functionalization for Direct Air Capture”, which we are pleased to submit for consideration in your journal.

This review discusses the emerging role of Metal-Organic Frameworks (MOFs) in advancing Direct Air Capture (DAC)technologies, which are critical for achieving carbon neutrality. Specifically, the article:

(a) outlines the most recent developments of MOFs designed for DAC applications;

(b) provides a comprehensive review of key MOF classes—hydroxy-rich, amine-functionalized, and those featuring open-metal-sites (OMS)—that contribute to enhanced CO₂ capture efficiency; and

(c) presents insights into the current challenges and future directions for developing MOFs that are cost-effective, high-performing, and durable for real-life DAC implementation.

We believe this review will be of particular interest to readers of Cambridge Prisms: Carbon Technologies, as it offers a timely and in-depth overview of MOF functionalization strategies for sustainable carbon capture.

All authors have read and approved the final version of this manuscript and confirm that it has not been published elsewhere and is not under consideration by any other journal. We sincerely appreciate the opportunity to contribute to Cambridge Prisms: Carbon Technologies and look forward to your consideration of our submission.

Thank you very much for your time and attention.

Sincerely,

A/Prof. Gang Kevin Li

Department of Chemical Engineering

The University of Melbourne

Email: li.g@unimelb.edu.au

Review: Metal–organic frameworks functionalization for direct air capture — R1/PR7

Conflict of interest statement

Reviewer declares none.

Comments

Since all the issues raised by the reviewers have been addressed, I think it is now acceptable for publication.

Review: Metal–organic frameworks functionalization for direct air capture — R1/PR8

Conflict of interest statement

Reviewer declares none.

Comments

The authors have carefully addressed all previous comments, and the manuscript has been significantly improved. I am now supportive of publication, provided that one remaining issue in Figure 2 is corrected.

In the current timeline shown in Figure 2, the 1999 work by Yaghi and co-workers is presented as the first porous MOF. This is historically inaccurate. The first permanently porous MOF was actually reported by Susumu Kitagawa and co-workers in 1997. The 1999 Yaghi paper should be recognized as the first permanently porous MOF with high stability and large surface area, but not as the very first porous MOF.

I therefore request that the authors revise Figure 2 (and any related text or caption) to correctly attribute both milestones.

Recommendation: Metal–organic frameworks functionalization for direct air capture — R1/PR9

Comments

No accompanying comment.

Decision: Metal–organic frameworks functionalization for direct air capture — R1/PR10

Comments

No accompanying comment.