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Vol. 18 (2026)

Flexible Metal–Organic Frameworks for Gas Handling Operations of CO2 and Its Isotopes: Mechanisms, Regulation Strategies and Potential Applications

https://doi.org/10.1007/s40820-026-02218-4
Na Geng
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Ningyu Liu
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Sai Chu
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Yongjian Huang
HBIS Group Co., Ltd., Shijiazhuang 050023, People’s Republic of China
Lu Bai
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Ming‑Shui Yao
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Yangyang Guo
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China
Tingyu Zhu
State Key Laboratory of Mesoscience and Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People’s Republic of China

Corresponding Author: Yangyang Guo

yyguo@ipe.ac.cn

Nano-Micro Letters, Vol. 18 (2026), Article Number: 371

Abstract

Global warming and the utilization of greenhouse gases have become a matter of worldwide concern. Porous adsorbents have emerged as core materials for effectively capturing CO2 and its isotopes. Flexible metal–organic frameworks (MOFs) stand out from traditional rigid adsorbents due to their unique structural flexibility and dynamic behavior. Owing to these characteristics, flexible MOFs have emerged as highly promising materials for CO2 adsorption and separation. Moreover, the high working capacity and excellent selectivity of flexible MOFs confer significant advantages for CO2 capture applications. They are expected to reduce energy consumption during adsorption–desorption cycles, positioning them as a promising new adsorbent. This review offers an overview of the dynamic behaviors of CO2 adsorption by flexible MOFs. Furthermore, we summarized the cutting-edge achievements in adjusting gating pressure, adsorption hysteresis loops, and CO2 affinity through ligand engineering, regulating the metal node, and functionalizing the pore environment. The challenges encountered with the material during actual carbon capture were discussed. Finally, an in-depth prospect is provided to promote the application of these materials in low-carbon energy and the high-value utilization of CO2 and its isotopes.


Highlights:
1 An overview of CO2 adsorption mechanisms in flexible metal-organic frameworks (MOFs) is presented from dynamic structure transformation and host-guest interactions.
2 Strategies of flexible regulation in the metal node, ligand, and pore functionalization are summarized.
3 The key challenges of vacuum pressure swing adsorption matching, industrial applications, and future opportunities of flexible MOFs are proposed.

Keywords

Carbon capture Flexible metal–organic frameworks Adsorption mechanisms Flexibility regulate Vacuum pressure swing adsorption
Geng, Na, Ningyu Liu, Sai Chu, Yongjian Huang, Lu Bai, Ming‑Shui Yao, Yangyang Guo, and Tingyu Zhu. 2026. “Flexible Metal–Organic Frameworks for Gas Handling Operations of CO2 and Its Isotopes: Mechanisms, Regulation Strategies and Potential Applications”. Nano-Micro Letters 18 (May):371. https://doi.org/10.1007/s40820-026-02218-4.
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References
  1. P. Friedlingstein, M. O’Sullivan, M.W. Jones, R.M. Andrew, J. Hauck et al., Global carbon budget 2024. Earth Syst. Sci. Data 17(3), 965–1039 (2025). https://doi.org/10.5194/essd-17-965-2025
  2. M. Karimi, M. Shirzad, J.A.C. Silva, A.E. Rodrigues, Carbon dioxide separation and capture by adsorption: a review. Environ. Chem. Lett. (2023). https://doi.org/10.1007/s10311-023-01589-z
  3. N. Mac Dowell, P.S. Fennell, N. Shah, G.C. Maitland, The role of CO2 capture and utilization in mitigating climate change. Nat. Clim. Chang. 7(4), 243–249 (2017). https://doi.org/10.1038/nclimate3231
  4. H.L. van Soest, M.G.J. den Elzen, D.P. van Vuuren, Net-zero emission targets for major emitting countries consistent with the Paris Agreement. Nat. Commun. 12(1), 2140 (2021). https://doi.org/10.1038/s41467-021-22294-x
  5. W. Gao, S. Liang, R. Wang, Q. Jiang, Y. Zhang et al., Industrial carbon dioxide capture and utilization: state of the art and future challenges. Chem. Soc. Rev. 49(23), 8584–8686 (2020). https://doi.org/10.1039/d0cs00025f
  6. R. Sahoo, S. Mondal, D. Mukherjee, M.C. Das, Metal–organic frameworks for CO2 separation from flue and biogas mixtures. Adv. Funct. Mater. 32(45), 2207197 (2022). https://doi.org/10.1002/adfm.202207197
  7. K. Jiao, G. Feng, J. Zhang, C. Wang, L. Zhang, Effect of multi-component gases on the behavior and mechanism of carbon deposition in hydrogen-rich blast furnaces. Energy 263, 125518 (2023). https://doi.org/10.1016/j.energy.2022.125518
  8. S. Zhang, Y. Shen, C. Zheng, Q. Xu, Y. Sun et al., Recent advances, challenges, and perspectives on carbon capture. Front. Environ. Sci. Eng. 18(6), 75 (2024). https://doi.org/10.1007/s11783-024-1835-0
  9. M. Pardakhti, T. Jafari, Z. Tobin, B. Dutta, E. Moharreri et al., Trends in solid adsorbent materials development for CO2 capture. ACS Appl. Mater. Interfaces 11(38), 34533–34559 (2019). https://doi.org/10.1021/acsami.9b08487
  10. H.-Y. Jiang, Z.-M. Wang, X.-Q. Sun, S.-J. Zeng, Y.-Y. Guo et al., Advanced materials for NH(3) capture: interaction sites and transport pathways. Nano-Micro Lett. 16(1), 228 (2024). https://doi.org/10.1007/s40820-024-01425-1
  11. Y. Gui, Y. Zheng, J. Sheng, P. Zhang, W. Chen et al., Research on the separation and purification of 14C emissions from nuclear power plant by chemical exchange method. J. Radioanal. Nucl. Chem. 331(9), 3979–3986 (2022). https://doi.org/10.1007/s10967-022-08457-0
  12. M.H. Barecka, M.K. Kovalev, M.Z. Muhamad, H. Ren, J.W. Ager et al., CO2 electroreduction favors carbon isotope 12C over 13C and facilitates isotope separation. iScience 26(10), 107834 (2023). https://doi.org/10.1016/j.isci.2023.107834
  13. Y. Guo, K. Du, L. Luo, S. Gu, N. Geng et al., Cyclic effects of sulfur deposition on CO2 by vacuum pressure swing adsorption from blast furnace gas. Carbon Capture Sci. Technol. 14, 100361 (2025). https://doi.org/10.1016/j.ccst.2025.100361
  14. J. Wang, X. Chen, T. Du, L. Liu, P.A. Webley et al., Hydrogen production from low pressure coke oven gas by vacuum pressure swing adsorption. Chem. Eng. J. 472, 144920 (2023). https://doi.org/10.1016/j.cej.2023.144920
  15. R.L. Siegelman, E.J. Kim, J.R. Long, Porous materials for carbon dioxide separations. Nat. Mater. 20(8), 1060–1072 (2021). https://doi.org/10.1038/s41563-021-01054-8
  16. Z. Tao, Y. Tian, W. Wu, Z. Liu, W. Fu et al., Development of zeolite adsorbents for CO2 separation in achieving carbon neutrality. npj Mater. Sustain. 2, 20 (2024). https://doi.org/10.1038/s44296-024-00023-x
  17. M. Kondo, T. Yoshitomi, H. Matsuzaka, S. Kitagawa, K. Seki, Three-dimensional framework with channeling cavities for small molecules: {[M2(4, 4′-bpy)3(NO3)4] ·xH2O}n (M=Co, Ni, Zn). Angew. Chem. Int. Ed. 36(16), 1725–1727 (1997). https://doi.org/10.1002/anie.199717251
  18. O.M. Yaghi, G. Li, H. Li, Selective binding and removal of guests in a microporous metal–organic framework. Nature 378(6558), 703–706 (1995). https://doi.org/10.1038/378703a0
  19. R. Kitaura, K. Seki, G. Akiyama, S. Kitagawa, Porous coordination-polymer crystals with gated channels specific for supercritical gases. Angew. Chem. Int. Ed. 42(4), 428–431 (2003). https://doi.org/10.1002/anie.200390130
  20. R. Banerjee, A. Phan, B. Wang, C. Knobler, H. Furukawa et al., High-throughput synthesis of zeolitic imidazolate frameworks and application to CO₂ capture. Science 319(5865), 939–943 (2008). https://doi.org/10.1126/science.1152516
  21. H. Li, M. Eddaoudi, M. O’Keeffe, O.M. Yaghi, Design and synthesis of an exceptionally stable and highly porous metal-organic framework. Nature 402(6759), 276–279 (1999). https://doi.org/10.1038/46248
  22. H. Deng, S. Grunder, K.E. Cordova, C. Valente, H. Furukawa et al., Large-pore apertures in a series of metal-organic frameworks. Science 336(6084), 1018–1023 (2012). https://doi.org/10.1126/science.1220131
  23. J. Sun, C.H. Kirk, Y. Pu, A.S. Palakkal, L.K.J. Ting et al., Water cluster triggered vitrification in HKUST-1 MOF crystal under pressure. InfoMat 8(3), e70100 (2026). https://doi.org/10.1002/inf2.70100
  24. S. Kitagawa, M. Kondo, Functional micropore chemistry of crystalline metal complex-assembled compounds. Bull. Chem. Soc. Jpn 71(8), 1739–1753 (1998). https://doi.org/10.1246/bcsj.71.1739
  25. S. Horike, S. Shimomura, S. Kitagawa, Soft porous crystals. Nat. Chem. 1(9), 695–704 (2009). https://doi.org/10.1038/nchem.444
  26. S. Kitagawa, R. Kitaura, S.-I. Noro, Functional porous coordination polymers. Angew. Chem. Int. Ed. 43(18), 2334–2375 (2004). https://doi.org/10.1002/anie.200300610
  27. J. Guo, S. Chu, F. Yuan, K.-I. Otake, M.-S. Yao et al., Soft porous crystals: flexible MOFs as a new class of adaptive materials. Ind. Chem. Mater. 3(6), 651–680 (2025). https://doi.org/10.1039/D5IM00067J
  28. N. Li, J. Pang, F. Lang, X.-H. Bu, Flexible metal-organic frameworks: from local structural design to functional realization. Acc. Chem. Res. 57(16), 2279–2292 (2024). https://doi.org/10.1021/acs.accounts.4c00253
  29. Y. Guo, L. Xu, J.-J. Zheng, N. Geng, Y. Wang et al., Functionalized dual/multiligand metal–organic frameworks for efficient CO2 capture under flue gas conditions. Environ. Sci. Technol. 58(50), 22456–22465 (2024). https://doi.org/10.1021/acs.est.4c08500
  30. Q.-Y. Ju, J.-J. Zheng, L. Xu, H.-Y. Jiang, Z.-Q. Xue et al., Enhanced carbon capture with motif-rich amino acid loaded defective robust metal-organic frameworks. Nano Res. 17(3), 2004–2010 (2024). https://doi.org/10.1007/s12274-023-5961-y
  31. F.-X. Coudert, A. Boutin, A.H. Fuchs, A.V. Neimark, Adsorption deformation and structural transitions in metal–organic frameworks: from the unit cell to the crystal. J. Phys. Chem. Lett. 4(19), 3198–3205 (2013). https://doi.org/10.1021/jz4013849
  32. A. Schneemann, V. Bon, I. Schwedler, I. Senkovska, S. Kaskel et al., Flexible metal–organic frameworks. Chem. Soc. Rev. 43(16), 6062–6096 (2014). https://doi.org/10.1039/c4cs00101j
  33. Q.-Y. Yang, P. Lama, S. Sen, M. Lusi, K.-J. Chen et al., Reversible switching between highly porous and nonporous phases of an interpenetrated diamondoid coordination network that exhibits gate-opening at methane storage pressures. Angew. Chem. Int. Ed. 57(20), 5684–5689 (2018). https://doi.org/10.1002/anie.201800820
  34. J.H. Lee, S. Jeoung, Y.G. Chung, H.R. Moon, Elucidation of flexible metal-organic frameworks: research progresses and recent developments. Coord. Chem. Rev. 389, 161–188 (2019). https://doi.org/10.1016/j.ccr.2019.03.008
  35. S. Krause, N. Hosono, S. Kitagawa, Chemistry of soft porous crystals: structural dynamics and gas adsorption properties. Angew. Chem. Int. Ed. 59(36), 15325–15341 (2020). https://doi.org/10.1002/anie.202004535
  36. H. Li, L. Li, R.-B. Lin, W. Zhou, Z. Zhang et al., Porous metal-organic frameworks for gas storage and separation: status and challenges. EnergyChem 1(1), 100006 (2019). https://doi.org/10.1016/j.enchem.2019.100006
  37. M. Wang, S. Zhou, S. Cao, Z. Wang, S. Liu et al., Stimulus-responsive adsorbent materials for CO2 capture and separation. J. Mater. Chem. A 8(21), 10519–10533 (2020). https://doi.org/10.1039/D0TA01863E
  38. X. Yao, K.E. Cordova, Y.-B. Zhang, Flexible metal–organic frameworks as CO2 adsorbents en route to energy-efficient carbon capture. Small Struct. 3(5), 2100209 (2022). https://doi.org/10.1002/sstr.202100209
  39. V.I. Nikolayenko, D.C. Castell, D. Sensharma, M. Shivanna, L. Loots et al., Reversible transformations between the non-porous phases of a flexible coordination network enabled by transient porosity. Nat. Chem. 15(4), 542–549 (2023). https://doi.org/10.1038/s41557-022-01128-3
  40. R. Pallach, J. Keupp, K. Terlinden, L. Frentzel-Beyme, M. Kloß et al., Frustrated flexibility in metal-organic frameworks. Nat. Commun. 12, 4097 (2021). https://doi.org/10.1038/s41467-021-24188-4
  41. J. Berger, S. Terruzzi, H. Bunzen, F. Ballerini, M. Vandone et al., CO(2) and temperature induced switching of a flexible metal-organic framework with surface-mounted nanops. Small 21(6), 2408137 (2025). https://doi.org/10.1002/smll.202408137
  42. D.-D. Zhou, J.-P. Zhang, On the role of flexibility for adsorptive separation. Acc. Chem. Res. 55(20), 2966–2977 (2022). https://doi.org/10.1021/acs.accounts.2c00418
  43. K. Chen, S.H. Mousavi, R. Singh, R.Q. Snurr, G. Li et al., Gating effect for gas adsorption in microporous materials-mechanisms and applications. Chem. Soc. Rev. 51(3), 1139–1166 (2022). https://doi.org/10.1039/d1cs00822f
  44. V. Bon, N. Kavoosi, I. Senkovska, S. Kaskel, Tolerance of flexible MOFs toward repeated adsorption stress. ACS Appl. Mater. Interfaces 7(40), 22292–22300 (2015). https://doi.org/10.1021/acsami.5b05456
  45. P. Freund, L. Mielewczyk, M. Rauche, I. Senkovska, S. Ehrling et al., MIL-53(Al)/carbon films for CO2-sensing at high pressure. ACS Sustain. Chem. Eng. 7(4), 4012–4018 (2019). https://doi.org/10.1021/acssuschemeng.8b05368
  46. A. Boutin, M.-A. Springuel-Huet, A. Nossov, A. Gédéon, T. Loiseau et al., Breathing transitions in MIL-53(Al) metal–organic framework upon xenon adsorption. Angew. Chem. Int. Ed. 48(44), 8314–8317 (2009). https://doi.org/10.1002/anie.200903153
  47. T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle et al., A rationale for the large breathing of the porous aluminum terephthalate (MIL-53) upon hydration. Chem. 10(6), 1373–1382 (2004). https://doi.org/10.1002/chem.200305413
  48. T. Kundu, B.B. Shah, L. Bolinois, D. Zhao, Functionalization-induced breathing control in metal–organic frameworks for methane storage with high deliverable capacity. Chem. Mater. 31(8), 2842–2847 (2019). https://doi.org/10.1021/acs.chemmater.8b05332
  49. S. Andonova, E. Ivanova, J. Yang, K. Hadjiivanov, Adsorption forms of CO2 on MIL-53(Al) and MIL-53(Al)–OHx as revealed by FTIR spectroscopy. J. Phys. Chem. C 121(34), 18665–18673 (2017). https://doi.org/10.1021/acs.jpcc.7b05538
  50. N. Chanut, A. Ghoufi, M.-V. Coulet, S. Bourrelly, B. Kuchta et al., Tailoring the separation properties of flexible metal-organic frameworks using mechanical pressure. Nat. Commun. 11, 1216 (2020). https://doi.org/10.1038/s41467-020-15036-y
  51. S. Bourrelly, P.L. Llewellyn, C. Serre, F. Millange, T. Loiseau et al., Different adsorption behaviors of methane and carbon dioxide in the isotypic nanoporous metal terephthalates MIL-53 and MIL-47. J. Am. Chem. Soc. 127(39), 13519–13521 (2005). https://doi.org/10.1021/ja054668v
  52. C. Serre, S. Bourrelly, A. Vimont, N.A. Ramsahye, G. Maurin et al., An explanation for the very large breathing effect of a metal–organic framework during CO2 adsorption. Adv. Mater. 19(17), 2246–2251 (2007). https://doi.org/10.1002/adma.200602645
  53. L. Hamon, P.L. Llewellyn, T. Devic, A. Ghoufi, G. Clet et al., Co-adsorption and separation of CO2−CH4 mixtures in the highly flexible MIL-53(Cr) MOF. J. Am. Chem. Soc. 131(47), 17490–17499 (2009). https://doi.org/10.1021/ja907556q
  54. H.J. Park, M.P. Suh, Stepwise and hysteretic sorption of N2, O2, CO2, and H2 gases in a porous metal–organic framework [Zn2(BPnDC)2(bpy). Chem. Commun. 46(4), 610–612 (2010). https://doi.org/10.1039/B913067E
  55. V. Bon, I. Senkovska, D. Wallacher, D.M. Többens, I. Zizak et al., In situ observation of gating phenomena in the flexible porous coordination polymer Zn2(BPnDC)2(bpy) (SNU-9) in a combined diffraction and gas adsorption experiment. Inorg. Chem. 53(3), 1513–1520 (2014). https://doi.org/10.1021/ic4024844
  56. Y. Inubushi, S. Horike, T. Fukushima, G. Akiyama, R. Matsuda et al., Modification of flexible part in Cu2+ interdigitated framework for CH4/CO2 separation. Chem. Commun. 46(48), 9229–9231 (2010). https://doi.org/10.1039/c0cc01294g
  57. N. Bönisch, M. Maliuta, I. Senkovska, V. Bon, P. Petkov et al., Linker expansion and its impact on switchability in pillared-layer MOFs. Inorg. Chem. 60(3), 1726–1737 (2021). https://doi.org/10.1021/acs.inorgchem.0c03218
  58. G. Kumari, N.R. Patil, V.S. Bhadram, R. Haldar, S. Bonakala et al., Understanding guest and pressure-induced porosity through structural transition in flexible interpenetrated MOF by Raman spectroscopy. J. Raman Spectrosc. 47(2), 149–155 (2016). https://doi.org/10.1002/jrs.4766
  59. S. Surblé, C. Serre, C. Mellot-Draznieks, F. Millange, G. Férey, A new isoreticular class of metal-organic-frameworks with the MIL-88 topology. Chem. Commun. 3, 284–286 (2006). https://doi.org/10.1039/b512169h
  60. P.V. Dau, M. Kim, S.J. Garibay, F.H.L. Münch, C.E. Moore et al., Single-atom ligand changes affect breathing in an extended metal-organic framework. Inorg. Chem. 51(10), 5671–5676 (2012). https://doi.org/10.1021/ic202683s
  61. Y. Ying, Z. Zhang, S.B. Peh, A. Karmakar, Y. Cheng et al., Pressure-responsive two-dimensional metal–organic framework composite membranes for CO2 separation. Angew. Chem. Int. Ed. 60(20), 11318–11325 (2021). https://doi.org/10.1002/anie.202017089
  62. M.L. Foo, R. Matsuda, Y. Hijikata, R. Krishna, H. Sato et al., An adsorbate discriminatory gate effect in a flexible porous coordination polymer for selective adsorption of CO2 over C2H2. J. Am. Chem. Soc. 138(9), 3022–3030 (2016). https://doi.org/10.1021/jacs.5b10491
  63. J. Zhang, W. Kosaka, H. Miyasaka, Control of gas sorption gate-opening in solid solutions of one-dimensional coordination polymers. Chem. Lett. 48(11), 1308–1311 (2019). https://doi.org/10.1246/cl.190557
  64. L. Li, F. Xiang, Y. Li, Y. Yang, Z. Yuan et al., Optimizing propylene/propane sieving separation through gate-pressure control within a flexible organic framework. Angew. Chem. Int. Ed. 64(7), e202419047 (2025). https://doi.org/10.1002/anie.202419047
  65. J. Peng, Z. Liu, Y. Wu, S. Xian, Z. Li, High-performance selective CO2 capture on a stable and flexible metal–organic framework via discriminatory gate-opening effect. ACS Appl. Mater. Interfaces 14(18), 21089–21097 (2022). https://doi.org/10.1021/acsami.2c04779
  66. C. Lu, S. Liu, Z. Wang, X. Wei, X. Chen et al., Acetylene-triggered gate-opening behavior in a stable rigid-flexible MOF for efficient C2H2/CO2 separation. Adv. Mater. 38(3), e14488 (2026). https://doi.org/10.1002/adma.202514488
  67. M. Pera-Titus, D. Farrusseng, Guest-induced gate opening and breathing phenomena in soft porous crystals: building thermodynamically consistent isotherms. J. Phys. Chem. C 116(2), 1638–1649 (2012). https://doi.org/10.1021/jp210174h
  68. X.-W. Zhang, J.-P. Zhang, X.-M. Chen, Molecule-based crystalline adsorbents: advancing adsorption theory and storage/separation applications. Acc. Mater. Res. 6(3), 259–273 (2025). https://doi.org/10.1021/accountsmr.4c00316
  69. A. Kondo, H. Noguchi, S. Ohnishi, H. Kajiro, A. Tohdoh et al., Novel expansion/shrinkage modulation of 2D layered MOF triggered by clathrate formation with CO2 molecules. Nano Lett. 6(11), 2581–2584 (2006). https://doi.org/10.1021/nl062032b
  70. H. Kanoh, A. Kondo, H. Noguchi, H. Kajiro, A. Tohdoh et al., Elastic layer-structured metal organic frameworks (ELMs). J. Colloid Interface Sci. 334(1), 1–7 (2009). https://doi.org/10.1016/j.jcis.2009.03.020
  71. Y. Cheng, H. Kajiro, H. Noguchi, A. Kondo, T. Ohba et al., Tuning of gate opening of an elastic layered structure MOF in CO2 sorption with a trace of alcohol molecules. Langmuir 27(11), 6905–6909 (2011). https://doi.org/10.1021/la201008v
  72. M. Ichikawa, A. Kondo, H. Noguchi, N. Kojima, T. Ohba et al., Double-step gate phenomenon in CO2 sorption of an elastic layer-structured MOF. Langmuir 32(38), 9722–9726 (2016). https://doi.org/10.1021/acs.langmuir.6b02551
  73. S. Hiraide, Y. Sakanaka, H. Kajiro, S. Kawaguchi, M.T. Miyahara et al., High-throughput gas separation by flexible metal-organic frameworks with fast gating and thermal management capabilities. Nat. Commun. 11(1), 3867 (2020). https://doi.org/10.1038/s41467-020-17625-3
  74. Y. Sakanaka, S. Hiraide, I. Sugawara, H. Uematsu, S. Kawaguchi et al., Generalised analytical method unravels framework-dependent kinetics of adsorption-induced structural transition in flexible metal–organic frameworks. Nat. Commun. 14, 6862 (2023). https://doi.org/10.1038/s41467-023-42448-3
  75. S. Hiraide, K. Nishimoto, S. Watanabe, Controlling the steepness of gate-opening behavior on elastic layer-structured metal–organic framework-11 via solvent-mediated phase transformation. J. Mater. Chem. A 12(29), 18193–18203 (2024). https://doi.org/10.1039/D4TA02068E
  76. S. Rahman, A. Arami-Niya, X. Yang, G. Xiao, G. Li et al., Temperature dependence of adsorption hysteresis in flexible metal organic frameworks. Commun. Chem. 3, 186 (2020). https://doi.org/10.1038/s42004-020-00429-3
  77. H. Arima, S. Hiraide, S. Watanabe, Elucidating the p size-dependent guest-induced structural transition of flexible metal–organic frameworks by exploring cooperative nature. J. Mater. Chem. A 12(35), 23647–23657 (2024). https://doi.org/10.1039/D4TA04222K
  78. X.-C. Huang, Y.-Y. Lin, J.-P. Zhang, X.-M. Chen, Ligand-directed strategy for zeolite-type metal–organic frameworks: zinc(II) imidazolates with unusual zeolitic topologies. Angew. Chem. Int. Ed. 45(10), 1557–1559 (2006). https://doi.org/10.1002/anie.200503778
  79. K.S. Park, Z. Ni, A.P. Côté, J.Y. Choi, R. Huang et al., Exceptional chemical and thermal stability of zeolitic imidazolate frameworks. Proc. Natl. Acad. Sci. U.S.A. 103(27), 10186–10191 (2006). https://doi.org/10.1073/pnas.0602439103
  80. S. Aguado, G. Bergeret, M.P. Titus, V. Moizan, C. Nieto-Draghi et al., Guest-induced gate-opening of a zeolite imidazolate framework. New J. Chem. 35(3), 546–550 (2011). https://doi.org/10.1039/c0nj00836b
  81. A. Arami-Niya, G. Birkett, Z. Zhu, T.E. Rufford, Gate opening effect of zeolitic imidazolate framework ZIF-7 for adsorption of CH4 and CO2 from N2. J. Mater. Chem. A 5(40), 21389–21399 (2017). https://doi.org/10.1039/C7TA03755D
  82. Y. Du, B. Wooler, M. Nines, P. Kortunov, C.S. Paur et al., New high- and low-temperature phase changes of ZIF-7: elucidation and prediction of the thermodynamics of transitions. J. Am. Chem. Soc. 137(42), 13603–13611 (2015). https://doi.org/10.1021/jacs.5b08362
  83. W. Cai, T. Lee, M. Lee, W. Cho, D.-Y. Han et al., Thermal structural transitions and carbon dioxide adsorption properties of zeolitic imidazolate framework-7 (ZIF-7). J. Am. Chem. Soc. 136(22), 7961–7971 (2014). https://doi.org/10.1021/ja5016298
  84. P. Zhao, H. Fang, S. Mukhopadhyay, A. Li, S. Rudić et al., Structural dynamics of a metal–organic framework induced by CO2 migration in its non-uniform porous structure. Nat. Commun. 10, 999 (2019). https://doi.org/10.1038/s41467-019-08939-y
  85. P. Zhao, G.I. Lampronti, G.O. Lloyd, M.T. Wharmby, S. Facq et al., Phase transitions in zeolitic imidazolate framework 7: the importance of framework flexibility and guest-induced instability. Chem. Mater. 26(5), 1767–1769 (2014). https://doi.org/10.1021/cm500407f
  86. K. Nakagawa, D. Tanaka, S. Horike, S. Shimomura, M. Higuchi et al., Enhanced selectivity of CO2 from a ternary gas mixture in an interdigitated porous framework. Chem. Commun. 46(24), 4258–4260 (2010). https://doi.org/10.1039/C0CC00027B
  87. T. Fukushima, S. Horike, Y. Inubushi, K. Nakagawa, Y. Kubota et al., Solid solutions of soft porous coordination polymers: fine-tuning of gas adsorption properties. Angew. Chem. Int. Ed. 49(28), 4820–4824 (2010). https://doi.org/10.1002/anie.201000989
  88. S. Horike, Y. Inubushi, T. Hori, T. Fukushima, S. Kitagawa, A solid solution approach to 2D coordination polymers for CH4/CO2 and CH4/C2H6 gas separation: equilibrium and kinetic studies. Chem. Sci. 3(1), 116–120 (2012). https://doi.org/10.1039/C1SC00591J
  89. B. Li, B. Chen, A flexible metal-organic framework with double interpenetration for highly selective CO2 capture at room temperature. Sci. China Chem. 59(8), 965–969 (2016). https://doi.org/10.1007/s11426-016-0040-1
  90. M. Inukai, M. Tamura, S. Horike, M. Higuchi, S. Kitagawa et al., Storage of CO2 into porous coordination polymer controlled by molecular rotor dynamics. Angew. Chem. Int. Ed. 57(28), 8687–8690 (2018). https://doi.org/10.1002/anie.201805111
  91. A. Sharma, N. Dwarkanath, S. Balasubramanian, Thermally activated dynamic gating underlies higher gas adsorption at higher temperatures in metal–organic frameworks. J. Mater. Chem. A 9(48), 27398–27407 (2021). https://doi.org/10.1039/D1TA06562A
  92. F.M. Amombo Noa, E.S. Grape, M. Åhlén, W.E. Reinholdsson, C.R. Göb et al., Chiral lanthanum metal-organic framework with gated CO2 sorption and concerted framework flexibility. J. Am. Chem. Soc. 144(19), 8725–8733 (2022). https://doi.org/10.1021/jacs.2c02351
  93. P. Iacomi, B. Zheng, S. Krause, S. Kaskel, G. Maurin et al., Low temperature calorimetry coupled with molecular simulations for an in-depth characterization of the guest-dependent compliant behavior of MOFs. Chem. Mater. 32(8), 3489–3498 (2020). https://doi.org/10.1021/acs.chemmater.0c00417
  94. Y. Gu, J.-J. Zheng, K.-I. Otake, K. Sugimoto, N. Hosono et al., Structural-deformation-energy-modulation strategy in a soft porous coordination polymer with an interpenetrated framework. Angew. Chem. Int. Ed. 59(36), 15517–15521 (2020). https://doi.org/10.1002/anie.202003186
  95. B.-Q. Song, M. Shivanna, M.-Y. Gao, S.-Q. Wang, C.-H. Deng et al., Shape-memory effect enabled by ligand substitution and CO2 affinity in a flexible SIFSIX coordination network. Angew. Chem. Int. Ed. 62(47), e202309985 (2023). https://doi.org/10.1002/anie.202309985
  96. L.-Q. Yang, J. Yu, S.-C. Fan, Y. Wang, W.-Y. Yuan et al., Regulation on C2H2/CO2 adsorption and separation by molecular rotors in metal–organic frameworks. J. Mater. Chem. A 12(27), 16427–16437 (2024). https://doi.org/10.1039/D4TA03374D
  97. S.K. Elsaidi, M.H. Mohamed, D. Banerjee, P.K. Thallapally, Flexibility in metal–organic frameworks: a fundamental understanding. Coord. Chem. Rev. 358, 125–152 (2018). https://doi.org/10.1016/j.ccr.2017.11.022
  98. X. Cui, K. Chen, H. Xing, Q. Yang, R. Krishna et al., Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene. Science 353(6295), 141–144 (2016). https://doi.org/10.1126/science.aaf2458
  99. O.T. Qazvini, R. Babarao, S.G. Telfer, Selective capture of carbon dioxide from hydrocarbons using a metal-organic framework. Nat. Commun. 12(1), 197 (2021). https://doi.org/10.1038/s41467-020-20489-2
  100. J. Luo, G. Yang, G. Zhang, Z. Huang, J. Peng et al., Kinetic sieving separation of a gating macrocyclic crystal for purification of propylene. Chem 10(10), 3148–3158 (2024). https://doi.org/10.1016/j.chempr.2024.06.007
  101. B. Chen, S. Xiang, G. Qian, Metal-organic frameworks with functional pores for recognition of small molecules. Acc. Chem. Res. 43(8), 1115–1124 (2010). https://doi.org/10.1021/ar100023y
  102. Y. Gu, J.-J. Zheng, K.-I. Otake, S. Sakaki, H. Ashitani et al., Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture. Nat. Commun. 14(1), 4245 (2023). https://doi.org/10.1038/s41467-023-39470-w
  103. J.-P. Zhang, P.-Q. Liao, H.-L. Zhou, R.-B. Lin, X.-M. Chen, Single-crystal X-ray diffraction studies on structural transformations of porous coordination polymers. Chem. Soc. Rev. 43(16), 5789–5814 (2014). https://doi.org/10.1039/C4CS00129J
  104. N. Behera, J. Duan, W. Jin, S. Kitagawa, The chemistry and applications of flexible porous coordination polymers. EnergyChem 3(6), 100067 (2021). https://doi.org/10.1016/j.enchem.2021.100067
  105. A.-X. Zhu, Q.-Y. Yang, A. Kumar, C. Crowley, S. Mukherjee et al., Coordination network that reversibly switches between two nonporous polymorphs and a high surface area porous phase. J. Am. Chem. Soc. 140(46), 15572–15576 (2018). https://doi.org/10.1021/jacs.8b08642
  106. M.-H. Yu, B. Space, D. Franz, W. Zhou, C. He et al., Enhanced gas uptake in a microporous metal-organic framework via a sorbate induced-fit mechanism. J. Am. Chem. Soc. 141(44), 17703–17712 (2019). https://doi.org/10.1021/jacs.9b07807
  107. P. Wang, K.-I. Otake, S. Hiraide, Y. Kubota, S. Kawaguchi et al., Flexible porous coordination polymer with multiple configurations for guest recognition and switchable CO2 sorption properties. Chem. Lett. 53(7), upae128 (2024). https://doi.org/10.1093/chemle/upae128
  108. X.-W. Zhang, R.-H. Wang, J.-P. Zhang, X.-M. Chen, Plastic pores for switchable and optimized adsorption behaviors. ACS Cent. Sci. 11(3), 479–485 (2025). https://doi.org/10.1021/acscentsci.4c02155
  109. Y. Sakata, S. Furukawa, M. Kondo, K. Hirai, N. Horike et al., Shape-memory nanopores induced in coordination frameworks by crystal downsizing. Science 339(6116), 193–196 (2013). https://doi.org/10.1126/science.1231451
  110. X. Li, X. Chen, F. Jiang, L. Chen, S. Lu et al., The dynamic response of a flexible indium based metal–organic framework to gas sorption. Chem. Commun. 52(11), 2277–2280 (2016). https://doi.org/10.1039/C5CC09461E
  111. M. Shivanna, Q.-Y. Yang, A. Bajpai, S. Sen, N. Hosono et al., Readily accessible shape-memory effect in a porous interpenetrated coordination network. Sci. Adv. 4(4), eaaq1636 (2018). https://doi.org/10.1126/sciadv.aaq1636
  112. H. Yang, T.X. Trieu, X. Zhao, Y. Wang, Y. Wang et al., Lock-and-key and shape-memory effects in an unconventional synthetic path to magnesium metal–organic frameworks. Angew. Chem. Int. Ed. 58(34), 11757–11762 (2019). https://doi.org/10.1002/anie.201905876
  113. J.-P. Zhang, X.-M. Chen, Optimized acetylene/carbon dioxide sorption in a dynamic porous crystal. J. Am. Chem. Soc. 131(15), 5516–5521 (2009). https://doi.org/10.1021/ja8089872
  114. S. Henke, A. Schneemann, A. Wütscher, R.A. Fischer, Directing the breathing behavior of pillared-layered metal–organic frameworks via a systematic library of functionalized linkers bearing flexible substituents. J. Am. Chem. Soc. 134(22), 9464–9474 (2012). https://doi.org/10.1021/ja302991b
  115. H.-L. Jiang, T.A. Makal, H.-C. Zhou, Interpenetration control in metal–organic frameworks for functional applications. Coord. Chem. Rev. 257(15–16), 2232–2249 (2013). https://doi.org/10.1016/j.ccr.2013.03.017
  116. C. Martí-Gastaldo, D. Antypov, J.E. Warren, M.E. Briggs, P.A. Chater et al., Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding. Nat. Chem. 6(4), 343–351 (2014). https://doi.org/10.1038/nchem.1871
  117. I. Senkovska, V. Bon, L. Abylgazina, M. Mendt, J. Berger et al., Understanding MOF flexibility: an analysis focused on pillared layer MOFs as a model system. Angew. Chem. Int. Ed. 62(33), e202218076 (2023). https://doi.org/10.1002/anie.202218076
  118. A.-X. Zhu, Q.-Y. Yang, S. Mukherjee, A. Kumar, C.-H. Deng et al., Tuning the gate-opening pressure in a switching pcu coordination network, X-pcu-5-Zn, by pillar-ligand substitution. Angew. Chem. Int. Ed. 58(50), 18212–18217 (2019). https://doi.org/10.1002/anie.201909977
  119. M.K. Taylor, T. Runčevski, J. Oktawiec, M.I. Gonzalez, R.L. Siegelman et al., Tuning the adsorption-induced phase change in the flexible metal–organic framework co(bdp). J. Am. Chem. Soc. 138(45), 15019–15026 (2016). https://doi.org/10.1021/jacs.6b09155
  120. M. Sadakiyo, T. Yamada, K. Kato, M. Takata, H. Kitagawa, A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal–organic framework. Chem. Sci. 7(2), 1349–1356 (2016). https://doi.org/10.1039/C5SC03325J
  121. M.I. Breeze, G. Clet, B.C. Campo, A. Vimont, M. Daturi et al., Isomorphous substitution in a flexible metal–organic framework: mixed-metal, mixed-valent MIL-53 type materials. Inorg. Chem. 52(14), 8171–8182 (2013). https://doi.org/10.1021/ic400923d
  122. G. Lee, D. Choi, M. Oh, Activating the gate-opening of a metal–organic framework and maximizing its adsorption capacity. J. Am. Chem. Soc. 147(15), 12811–12820 (2025). https://doi.org/10.1021/jacs.5c01399
  123. N. Klein, H.C. Hoffmann, A. Cadiau, J. Getzschmann, M.R. Lohe et al., Structural flexibility and intrinsic dynamics in the M2(2, 6-ndc)2(dabco) (M = Ni, Cu Co, Zn) metal–organic frameworks. J. Mater. Chem. 22(20), 10303–10312 (2012). https://doi.org/10.1039/C2JM15601F
  124. A. Schneemann, P. Vervoorts, I. Hante, M. Tu, S. Wannapaiboon et al., Different breathing mechanisms in flexible pillared-layered metal–organic frameworks: impact of the metal center. Chem. Mater. 30(5), 1667–1676 (2018). https://doi.org/10.1021/acs.chemmater.7b05052
  125. D. Perl, S.J. Lee, A. Ferguson, G.B. Jameson, S.G. Telfer, Hetero-interpenetrated metal-organic frameworks. Nat. Chem. 15(10), 1358–1364 (2023). https://doi.org/10.1038/s41557-023-01277-z
  126. J. Yan, S. Jiang, S. Ji, D. Shi, H. Cheng, Metal-organic framework MIL-53(Al): synthesis, catalytic performance for the Friedel-Crafts acylation, and reaction mechanism. Sci. China Chem. 58(10), 1544–1552 (2015). https://doi.org/10.1007/s11426-015-5359-0
  127. J. Schaber, S. Krause, S. Paasch, I. Senkovska, V. Bon et al., In situ monitoring of unique switching transitions in the pressure-amplifying flexible framework material DUT-49 by high-pressure 129Xe NMR spectroscopy. J. Phys. Chem. C 121(9), 5195–5200 (2017). https://doi.org/10.1021/acs.jpcc.7b01204
  128. P.S. Petkov, V. Bon, C.L. Hobday, A.B. Kuc, P. Melix et al., Conformational isomerism controls collective flexibility in metal–organic framework DUT-8(Ni). Phys. Chem. Chem. Phys. 21(2), 674–680 (2019). https://doi.org/10.1039/c8cp06600k
  129. L.-Q. Yang, Y. Wang, W.-Y. Yuan, Q.-G. Zhai, Shifting C2H2/CO2 adsorption and separation in pillar-layered metal–organic frameworks finely-regulated by molecular rotation. Small 21(6), 2409939 (2025). https://doi.org/10.1002/smll.202409939
  130. P. Horcajada, F. Salles, S. Wuttke, T. Devic, D. Heurtaux et al., How linker’s modification controls swelling properties of highly flexible iron(III) dicarboxylates MIL-88. J. Am. Chem. Soc. 133(44), 17839–17847 (2011). https://doi.org/10.1021/ja206936e
  131. S. Wang, N. Xhaferaj, M. Wahiduzzaman, K. Oyekan, X. Li et al., Engineering structural dynamics of zirconium metal–organic frameworks based on natural C4 linkers. J. Am. Chem. Soc. 141(43), 17207–17216 (2019). https://doi.org/10.1021/jacs.9b07816
  132. M. Bonneau, C. Lavenn, J.-J. Zheng, A. Legrand, T. Ogawa et al., Tunable acetylene sorption by flexible catenated metal-organic frameworks. Nat. Chem. 14(7), 816–822 (2022). https://doi.org/10.1038/s41557-022-00928-x
  133. I. Akiyama, T. Kato, S. Kannaka, A. Ito, M. Ohtani, Effect of boron-doping on gate-opening CO2 adsorption in zinc-benzimidazolate coordination networks. ACS Appl. Mater. Interfaces 16(19), 24816–24822 (2024). https://doi.org/10.1021/acsami.4c04296
  134. L.W. Bingel, J.D. Evans, T. Kim, J.K. Scott, K.S. Walton, Influence of postsynthetic ligand exchange in ZIF-7 on gate-opening pressure and CO2/CH4 mixture separation. Chem. Mater. 36(24), 11756–11769 (2024). https://doi.org/10.1021/acs.chemmater.4c01815
  135. R.L. Siegelman, T.M. McDonald, M.I. Gonzalez, J.D. Martell, P.J. Milner et al., Controlling cooperative CO2 adsorption in diamine-appended Mg2(dobpdc) metal–organic frameworks. J. Am. Chem. Soc. 139(30), 10526–10538 (2017). https://doi.org/10.1021/jacs.7b05858
  136. S.T. Parker, A. Smith, A.C. Forse, W.-C. Liao, F. Brown-Altvater et al., Evaluation of the stability of diamine-appended Mg2(dobpdc) frameworks to sulfur dioxide. J. Am. Chem. Soc. 144(43), 19849–19860 (2022). https://doi.org/10.1021/jacs.2c07498
  137. T.M. McDonald, W.R. Lee, J.A. Mason, B.M. Wiers, C.S. Hong et al., Capture of carbon dioxide from air and flue gas in the alkylamine-appended metal-organic framework mmen-Mg2(dobpdc). J. Am. Chem. Soc. 134(16), 7056–7065 (2012). https://doi.org/10.1021/ja300034j
  138. J.H. Choe, H. Kim, H. Yun, J.F. Kurisingal, N. Kim et al., Extended MOF-74-type variant with an azine linkage: efficient direct air capture and one-pot synthesis. J. Am. Chem. Soc. 146(28), 19337–19349 (2024). https://doi.org/10.1021/jacs.4c05318
  139. Z. Zhu, S.T. Parker, A.C. Forse, J.-H. Lee, R.L. Siegelman et al., Cooperative carbon dioxide capture in diamine-appended magnesium–olsalazine frameworks. J. Am. Chem. Soc. 145(31), 17151–17163 (2023). https://doi.org/10.1021/jacs.3c03870
  140. T.M. McDonald, J.A. Mason, X. Kong, E.D. Bloch, D. Gygi et al., Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature 519(7543), 303–308 (2015). https://doi.org/10.1038/nature14327
  141. A. Hazra, D.P. van Heerden, S. Sanyal, P. Lama, C. Esterhuysen et al., CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling. Chem. Sci. 10(43), 10018–10024 (2019). https://doi.org/10.1039/c9sc04043a
  142. K. Koupepidou, V.I. Nikolayenko, D. Sensharma, A.A. Bezrukov, M. Shivanna et al., Control over phase transformations in a family of flexible double diamondoid coordination networks through linker ligand substitution. Chem. Mater. 35(9), 3660–3670 (2023). https://doi.org/10.1021/acs.chemmater.3c00334
  143. K.T. Chue, J.N. Kim, Y.J. Yoo, S.H. Cho, R.T. Yang, Comparison of activated carbon and zeolite 13X for CO2 recovery from flue gas by pressure swing adsorption. Ind. Eng. Chem. Res. 34(2), 591–598 (1995). https://doi.org/10.1021/ie00041a020
  144. D. Fairen-Jimenez, S.A. Moggach, M.T. Wharmby, P.A. Wright, S. Parsons et al., Opening the gate: framework flexibility in ZIF-8 explored by experiments and simulations. J. Am. Chem. Soc. 133(23), 8900–8902 (2011). https://doi.org/10.1021/ja202154j
  145. Z.R. Herm, J.A. Swisher, B. Smit, R. Krishna, J.R. Long, Metal−Organic frameworks as adsorbents for hydrogen purification and precombustion carbon dioxide capture. J. Am. Chem. Soc. 133(15), 5664–5667 (2011). https://doi.org/10.1021/ja111411q
  146. K. Sumida, D.L. Rogow, J.A. Mason, T.M. McDonald, E.D. Bloch et al., Carbon dioxide capture in metal–organic frameworks. Chem. Rev. 112(2), 724–781 (2012). https://doi.org/10.1021/cr2003272
  147. D. Danaci, E. Pulidori, L. Bernazzani, C. Petit, M. Taddei, Evaluating the CO2 capture performance of a “phase-change” metal–organic framework in a pressure-vacuum swing adsorption process. Mol. Syst. Des. Eng. 8(12), 1526–1539 (2023). https://doi.org/10.1039/D3ME00098B
  148. L. Li, H.S. Jung, J.W. Lee, Y.T. Kang, Review on applications of metal–organic frameworks for CO2 capture and the performance enhancement mechanisms. Renew. Sustain. Energy Rev. 162, 112441 (2022). https://doi.org/10.1016/j.rser.2022.112441
  149. T.-H. Bae, M.R. Hudson, J.A. Mason, W.L. Queen, J.J. Dutton et al., Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture. Energy Environ. Sci. 6(1), 128–138 (2013). https://doi.org/10.1039/c2ee23337a
  150. J.E. Eichler, H. Leonard, E.K. Yang, L.A. Smith, S.N. Lauro et al., Dual-cation activation of N-enriched porous carbons improves control of CO2 and N2 adsorption thermodynamics for selective CO2 capture. Adv. Funct. Mater. 34(51), 2410171 (2024). https://doi.org/10.1002/adfm.202410171
  151. Y. Takakura, S. Sugimoto, J. Fujiki, H. Kajiro, T. Yajima et al., Model-based analysis of a highly efficient CO2 separation process using flexible metal–organic frameworks with isotherm hysteresis. ACS Sustain. Chem. Eng. 10(45), 14935–14947 (2022). https://doi.org/10.1021/acssuschemeng.2c05058
  152. I. Majchrzak-Kucęba, D. Wawrzyńczak, A. Ściubidło, Application of metal-organic frameworks in VPSA technology for CO2 capture. Fuel 255, 115773 (2019). https://doi.org/10.1016/j.fuel.2019.115773
  153. A. Henrotin, N. Heymans, M.E. Duprez, G. Mouchaham, C. Serre et al., Lab-scale pilot for CO2 capture vacuum pressure swing adsorption: MIL-160(Al) vs zeolite 13X. Carbon Capture Sci. Technol. 12, 100224 (2024). https://doi.org/10.1016/j.ccst.2024.100224
  154. N.A.A. Qasem, R. Ben-Mansour, Energy and productivity efficient vacuum pressure swing adsorption process to separate CO2 from CO2/N2 mixture using Mg-MOF-74: a CFD simulation. Appl. Energy 209, 190–202 (2018). https://doi.org/10.1016/j.apenergy.2017.10.098
  155. S. Krishnamurthy, V.R. Rao, S. Guntuka, P. Sharratt, R. Haghpanah et al., CO2 capture from dry flue gas by vacuum swing adsorption: a pilot plant study. AIChE J. 60(5), 1830–1842 (2014). https://doi.org/10.1002/aic.14435
  156. S. He, T. Guo, W. Tian, N. Liu, N. Geng et al., Optimized preparation of zeolite adsorbent from blast furnace slag for CO2 capture evaluation via VPSA process. Sep. Purif. Technol. 384, 136284 (2026). https://doi.org/10.1016/j.seppur.2025.136284
  157. M. Xu, S. Chen, D.-K. Seo, S. Deng, Evaluation and optimization of VPSA processes with nanostructured zeolite NaX for post-combustion CO2 capture. Chem. Eng. J. 371, 693–705 (2019). https://doi.org/10.1016/j.cej.2019.03.275
  158. C. Shen, Z. Liu, P. Li, J. Yu, Two-stage VPSA process for CO2 capture from flue gas using activated carbon beads. Ind. Eng. Chem. Res. 51(13), 5011–5021 (2012). https://doi.org/10.1021/ie202097y
  159. Y.-T. Wang, S. Jalife, A. Robles, M. Đerić, J.I. Wu et al., Efficient CO2/CO separation by pressure swing adsorption using an intrinsically nanoporous molecular crystal. ACS Appl. Nano Mater. 5(10), 14021–14026 (2022). https://doi.org/10.1021/acsanm.2c01535
  160. Y.-T. Wang, C. McHale, X. Wang, C.-K. Chang, Y.-C. Chuang et al., Cyclotetrabenzoin acetate: a macrocyclic porous molecular crystal for CO2 separations by pressure swing adsorption. Angew. Chem. Int. Ed. 60(27), 14931–14937 (2021). https://doi.org/10.1002/anie.202102813
  161. T. Remy, G.V. Baron, J.F.M. Denayer, Modeling the effect of structural changes during dynamic separation processes on MOFs. Langmuir 27(21), 13064–13071 (2011). https://doi.org/10.1021/la203374a
  162. L. Joss, M. Hefti, Z. Bjelobrk, M. Mazzotti, On the potential of phase-change adsorbents for CO2 capture by temperature swing adsorption. Energy Procedia 114, 2271–2278 (2017). https://doi.org/10.1016/j.egypro.2017.03.1375
  163. E.J. Carrington, C.A. McAnally, A.J. Fletcher, S.P. Thompson, M. Warren et al., Solvent-switchable continuous-breathing behaviour in a diamondoid metal-organic framework and its influence on CO2 versus CH4 selectivity. Nat. Chem. 9(9), 882–889 (2017). https://doi.org/10.1038/nchem.2747
  164. X. Yang, A. Arami-Niya, G. Xiao, E.F. May, Flexible adsorbents at high pressure: observations and correlation of ZIF-7 stepped sorption isotherms for nitrogen, argon, and other gases. Langmuir 36(49), 14967–14977 (2020). https://doi.org/10.1021/acs.langmuir.0c02279
  165. S. Hiraide, Y. Sakanaka, Y. Iida, H. Arima, M.T. Miyahara et al., Theoretical isotherm equation for adsorption-induced structural transition on flexible metal–organic frameworks. Proc. Natl. Acad. Sci. U. S. A. 120(31), e2305573120 (2023). https://doi.org/10.1073/pnas.2305573120
  166. J.M. Kolle, M. Fayaz, A. Sayari, Understanding the effect of water on CO2 adsorption. Chem. Rev. 121(13), 7280–7345 (2021). https://doi.org/10.1021/acs.chemrev.0c00762
  167. D. Song, S. Zou, Z. Ji, Y. Li, H. Li et al., One-step ethylene purification from ternary mixture through adaptive recognition sites. Angew. Chem. Int. Ed. 64(14), e202423496 (2025). https://doi.org/10.1002/anie.202423496
  168. R. Yang, Y. Wang, J.-W. Cao, Z.-M. Ye, T. Pham et al., Hydrogen bond unlocking-driven pore structure control for shifting multi-component gas separation function. Nat. Commun. 15(1), 804 (2024). https://doi.org/10.1038/s41467-024-45081-w
  169. Q. Dong, X. Zhang, S. Liu, R.-B. Lin, Y. Guo et al., Tuning gate-opening of a flexible metal–organic framework for ternary gas sieving separation. Angew. Chem. Int. Ed. 59(50), 22756–22762 (2020). https://doi.org/10.1002/anie.202011802
  170. Y.-J. Song, Y.-H. Zuo, Z.-F. Li, G. Li, Recent advances in carboxylate-based indium(iii)–organic frameworks. Inorg. Chem. Front. 11(21), 7256–7295 (2024). https://doi.org/10.1039/d4qi02014f
  171. C. Xiao, J. Tian, Q. Chen, M. Hong, Water-stable metal–organic frameworks (MOFs): rational construction and carbon dioxide capture. Chem. Sci. 15(5), 1570–1610 (2024). https://doi.org/10.1039/D3SC06076D
  172. D. Bazer-Bachi, L. Assié, V. Lecocq, B. Harbuzaru, V. Falk, Towards industrial use of metal-organic framework: impact of shaping on the MOF properties. Powder Technol. 255, 52–59 (2014). https://doi.org/10.1016/j.powtec.2013.09.013
  173. M. Kriesten, J. Vargas Schmitz, J. Siegel, C.E. Smith, M. Kaspereit et al., Shaping of flexible metal-organic frameworks: combining macroscopic stability and framework flexibility. Eur. J. Inorg. Chem. (2019). https://doi.org/10.1002/ejic.201901100
  174. J.-B. Lin, T.T.T. Nguyen, R. Vaidhyanathan, J. Burner, J.M. Taylor et al., A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture. Science 374(6574), 1464–1469 (2021). https://doi.org/10.1126/science.abi7281
  175. D. Chakraborty, A. Yurdusen, G. Mouchaham, F. Nouar, C. Serre, Large-scale production of metal–organic frameworks. Adv. Funct. Mater. 34(43), 2309089 (2024). https://doi.org/10.1002/adfm.202309089
  176. Z. Chen, X. Yang, R. Wang, Engineering metal-organic frameworks via diverse shaping methods for enhanced sorption-based applications. Matter 8(11), 102369 (2025). https://doi.org/10.1016/j.matt.2025.102369
  177. S. Cong, Y. Yuan, J. Wang, Z. Wang, F. Kapteijn et al., Highly water-permeable metal–organic framework MOF-303 membranes for desalination. J. Am. Chem. Soc. 143(48), 20055–20058 (2021). https://doi.org/10.1021/jacs.1c10192
  178. I. Majchrzak-Kucęba, A. Ściubidło, Shaping metal–organic framework (MOF) powder materials for CO2 capture applications: a thermogravimetric study. J. Therm. Anal. Calorim. 138(6), 4139–4144 (2019). https://doi.org/10.1007/s10973-019-08314-5
  179. Y. Chen, S. Li, X. Pei, J. Zhou, X. Feng et al., A solvent-free hot-pressing method for preparing metal–organic-framework coatings. Angew. Chem. Int. Ed. 55(10), 3419–3423 (2016). https://doi.org/10.1002/anie.201511063
  180. Y. Jin, H. Wang, H. Cheng, M. Feng, M. Zhang et al., Rapid solid-phase synthesis of highly crystalline covalent organic framework platelets. Nat. Chem. Eng. 2(9), 581–593 (2025). https://doi.org/10.1038/s44286-025-00277-9
  181. J. Park, Y.S. Chae, D.W. Kang, M. Kang, J.H. Choe et al., Shaping of a metal–organic framework–polymer composite and its CO2 adsorption performances from humid indoor air. ACS Appl. Mater. Interfaces 13(21), 25421–25427 (2021). https://doi.org/10.1021/acsami.1c06089
  182. Y. Song, T. Ke, J. Shen, J. Li, X. Zhu et al., Shaped layered two-dimensional fluorinated metal-organic frameworks for highly efficient acetylene/ethylene separation. Sep. Purif. Technol. 323, 124377 (2023). https://doi.org/10.1016/j.seppur.2023.124377
  183. J. Liu, B. Li, V. Martins, Y. Huang, Y. Song, Enhancing CO2 adsorption in MIL-53(Al) through pressure–temperature modulation: insights from guest–host interactions. J. Phys. Chem. C 128(19), 8007–8015 (2024). https://doi.org/10.1021/acs.jpcc.3c06789
  184. F.-X. Coudert, M. Jeffroy, A.H. Fuchs, A. Boutin, C. Mellot-Draznieks, Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks. J. Am. Chem. Soc. 130(43), 14294–14302 (2008). https://doi.org/10.1021/ja805129c
  185. R. Numaguchi, H. Tanaka, S. Watanabe, M.T. Miyahara, Simulation study for adsorption-induced structural transition in stacked-layer porous coordination polymers: Equilibrium and hysteretic adsorption behaviors. J. Chem. Phys. 138(5), 054708 (2013). https://doi.org/10.1063/1.4789810
  186. R. Numaguchi, H. Tanaka, S. Watanabe, M.T. Miyahara, Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers. J. Chem. Phys. 140(4), 044707 (2014). https://doi.org/10.1063/1.4862735
  187. S. Hiraide, H. Arima, H. Tanaka, M.T. Miyahara, Slacking of gate adsorption behavior on metal–organic frameworks under an external force. ACS Appl. Mater. Interfaces 13(25), 30213–30223 (2021). https://doi.org/10.1021/acsami.1c07370
  188. H. Arima, S. Hiraide, M.T. Miyahara, S. Watanabe, Validating the mechanism underlying the slacking of the gate-opening behavior in flexible metal–organic frameworks arising from the application of external force. ACS Appl. Mater. Interfaces 15(30), 36975–36987 (2023). https://doi.org/10.1021/acsami.3c05923
  189. S.-C. Fan, Y.-P. Li, J.-W. Wang, C.-C. Xing, Z.-Y. Liu et al., Local-global synergistic pore space partition in metal-organic frameworks for boosting CO2 capture and conversion. J. Am. Chem. Soc. 147(43), 39379–39390 (2025). https://doi.org/10.1021/jacs.5c11494
  190. B. Song, Y. Liang, Y. Zhou, L. Zhang, H. Li et al., CO2-based stable porous metal–organic frameworks for CO2 utilization. J. Am. Chem. Soc. 146(21), 14835–14843 (2024). https://doi.org/10.1021/jacs.4c03476
  191. S. Wang, M. Zhou, Z. Li, J. Liang, Y. Su et al., Dynamic reversible evolution of vicinal/bonding heteronuclear diatoms drives relay reductive C-N coupling for enhancive urea electrosynthesis. InfoMat 7(11), e70051 (2025). https://doi.org/10.1002/inf2.70051
  192. Y. Zhang, Y. Chen, Y. Li, M. Cheng, P. Yan et al., Unconventional rectifying interface of bimetal/carbon catalyst act as charge emitter for efficiently bending *CO2 to stably drive the formation of formate. InfoMat 8(1), e70078 (2026). https://doi.org/10.1002/inf2.70078
  193. K. Amano, K. Ito, K. Otake, Y. Umeda (Tokyo Electric Power CO Inc (Toep-C)), JP2010094654-A, (2010)
  194. S.-M. Hong, H. Jang, S. Noh, H.W. Kang, Y.-Z. Cho, Management of carbon dioxide released from spent nuclear fuel through voloxidation. J. Radioanal. Nucl. Chem. 330(3), 695–705 (2021). https://doi.org/10.1007/s10967-021-07972-w
  195. Y. Su, K.-I. Otake, J.-J. Zheng, S. Horike, S. Kitagawa et al., Separating water isotopologues using diffusion-regulatory porous materials. Nature 611(7935), 289–294 (2022). https://doi.org/10.1038/s41586-022-05310-y
  196. J. Wang, L. Jin, S. Wen, C. Ma, P. Ning et al., Progress of MOFs/solid material composite adsorbent for efficient CO2 adsorption and separation. Coord. Chem. Rev. 549, 217334 (2026). https://doi.org/10.1016/j.ccr.2025.217334
  197. S.K. Gebremariam, L.F. Dumée, P.L. Llewellyn, Y.F. AlWahedi, G.N. Karanikolos, Metal-organic framework hybrid adsorbents for carbon capture–A review. J. Environ. Chem. Eng. 11(2), 109291 (2023). https://doi.org/10.1016/j.jece.2023.109291
  198. X. Jiang, Y. Wang, H. Wang, L. Cheng, J.-W. Cao et al., Integration of ordered porous materials for targeted three-component gas separation. Nat. Commun. 16(1), 694 (2025). https://doi.org/10.1038/s41467-025-55991-y
  199. H. Zhou, Y. Lin, Y. Ma, L. Han, Z. Cai et al., Hierarchical structure Fe@CNFs@Co/C elastic aerogels with intelligent electromagnetic wave absorption. InfoMat 7(1), e12630 (2025). https://doi.org/10.1002/inf2.12630
  200. M. Sedighi, M.J. Azarhoosh, H. Alamgholiloo, N.N. Pesyan, Engineering CALF-20/graphene oxide nanocomposites for enhancing CO2/N2 capture performance. Process. Saf. Environ. Prot. 190, 1481–1493 (2024). https://doi.org/10.1016/j.psep.2024.08.005
  201. Y. Chen, D. Lv, J. Wu, J. Xiao, H. Xi et al., A new MOF-505@GO composite with high selectivity for CO2/CH4 and CO2/N2 separation. Chem. Eng. J. 308, 1065–1072 (2017). https://doi.org/10.1016/j.cej.2016.09.138
  202. Q. Al-Naddaf, A.A. Rownaghi, F. Rezaei, Multicomponent adsorptive separation of CO2, CO, CH4, N2, and H2 over core-shell zeolite-5A@MOF-74 composite adsorbents. Chem. Eng. J. 384, 123251 (2020). https://doi.org/10.1016/j.cej.2019.123251
  203. K. Xuan, L. Zhong, R.M. Othman, G.P. Lithoxoos, F. Almansour et al., On CO2 capture capacity and mechanisms for zeolite templated carbon, MOF-199, and 13X zeolite in dry and humid conditions. Sep. Purif. Technol. 363, 132080 (2025). https://doi.org/10.1016/j.seppur.2025.132080
  204. F. Bahmanzadegan, A. Ghaemi, R. Norouzbeigi, Ecofriendly novel hydrophobic core-shell zeolite@MOF nanoadsorbent for CO2 capture. J. CO2 Util. 100, 103183 (2025). https://doi.org/10.1016/j.jcou.2025.103183
  205. H. Arima, S. Hiraide, H. Nagano, L. Abylgazina, I. Senkovska et al., Atomic force microscopy strategies for capturing guest-induced structural transitions in single flexible metal-organic framework ps. J. Am. Chem. Soc. 147(17), 14491–14503 (2025). https://doi.org/10.1021/jacs.5c01377
  206. P. Iacomi, F. Alabarse, R. Appleyard, T. Lemaire, C. Thessieu et al., Structural insight of MOFs under combined mechanical and adsorption stimuli. Angew. Chem. Int. Ed. 61(22), e202201924 (2022). https://doi.org/10.1002/anie.202201924
  207. K.T. Butler, D.W. Davies, H. Cartwright, O. Isayev, A. Walsh, Machine learning for molecular and materials science. Nature 559(7715), 547–555 (2018). https://doi.org/10.1038/s41586-018-0337-2
  208. P.G. Boyd, A. Chidambaram, E. García-Díez, C.P. Ireland, T.D. Daff et al., Data-driven design of metal–organic frameworks for wet flue gas CO2 capture. Nature 576(7786), 253–256 (2019). https://doi.org/10.1038/s41586-019-1798-7
  209. Y. Luo, S. Bag, O. Zaremba, A. Cierpka, J. Andreo et al., MOF synthesis prediction enabled by automatic data mining and machine learning. Angew. Chem. Int. Ed. 61(19), e202200242 (2022). https://doi.org/10.1002/anie.202200242
  210. S. Li, S. Deng, X. Yuan, Machine learning-empowered plastic-derived porous carbons for high-performance CO2capture. Acc. Mater. Res. 6(11), 1319–1331 (2025). https://doi.org/10.1021/accountsmr.5c00185
  211. S. Guo, X. Huang, Y. Situ, Q. Huang, K. Guan et al., Interpretable machine-learning and big data mining to predict gas diffusivity in metal-organic frameworks. Adv. Sci. 10(21), 2301461 (2023). https://doi.org/10.1002/advs.202301461
  212. Z. Zheng, Z. Rong, N. Rampal, C. Borgs, J.T. Chayes et al., A GPT-4 reticular chemist for guiding MOF discovery. Angew. Chem. Int. Ed. 62(46), e202311983 (2023). https://doi.org/10.1002/anie.202311983
  213. P.Z. Moghadam, Y.G. Chung, R.Q. Snurr, Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications. Nat. Energy 9(2), 121–133 (2024). https://doi.org/10.1038/s41560-023-01417-2
  214. Y. Li, S. Guo, B. Wang, J. Sun, L. Zhao et al., Machine learning-assisted wearable sensor array for comprehensive ammonia and nitrogen dioxide detection in wide relative humidity range. InfoMat 6(6), e12544 (2024). https://doi.org/10.1002/inf2.12544
  215. H. Mashhadimoslem, M.A. Abdol, K. Zanganeh, A. Shafeen, A.A. AlHammadi et al., Development of the CO2 adsorption model on porous adsorbent materials using machine learning algorithms. ACS Appl. Energy Mater. 7(19), 8596–8609 (2024). https://doi.org/10.1021/acsaem.4c01465
  216. Y. Wang, Z.-J. Jiang, W. Lu, D. Li, Machine learning-assisted exploration of chemical space of MOF-5 analogs for enhanced C2H6/C2H4 separation. Angew. Chem. Int. Ed. 64(21), e202500783 (2025). https://doi.org/10.1002/anie.202500783
  217. J.M. Findley, J.A. Steckel, Investigation of the effect of framework flexibility on CO2 adsorption in SIFSIX-3-Cu using a machine-learned force field. J. Phys. Chem. C 129(42), 19145–19155 (2025). https://doi.org/10.1021/acs.jpcc.5c05096
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