Probing Structural Defects in MOFs Using Water Stability
Open accessAbstract
Defects in the crystal structures of metal-organic frameworks (MOFs), whether present intrinsically or introduced via so-called defect engineering, can play strong roles in the properties of MOFs for various applications. Unfortunately, direct experimental detection and characterization of defects in MOFs are very challenging. We show that in many cases, the differences between experimentally observed and computationally predicted water stabilities of MOFs can be used to deduce information on the presence of point defects in real materials. Most computational studies of MOFs consider these materials to be defect-free, and in many cases, the resulting structures are predicted to be hydrophobic. Systematic experimental studies, however, have shown that many MOFs are hydrophilic. We show that the existence of chemically plausible point defects can often account for this discrepancy and use this observation in combination with detailed molecular simulations to assess the impact of local defects and flexibility in a variety of MOFs for which defects had not been considered previously.
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MOF structural integrity can be compromised by interactions with certain impurities in gas streams, which may result in degradation or even complete failure.
“Their structural integrity can be compromised by interactions with certain impurities in gas streams, which may result in degradation or even complete failure.”
From Metals incorporated agricultural waste corn Cob-based biochar used as an adsorbent for CO2 capturing (2025) · cites this paper as [19]
The Introduction says some MOFs show little structural stability after exposure to even small amounts of moisture in the vapor phase, and the Conclusions discuss water-driven degradation. This supports the concern about exposure to moisture, but the paper does not establish the broader claim about impurities in gas streams or describe complete failure. (LLM, conf=0.83)
Experimental — accuracy not yet measuredMOFs often face stability issues when exposed to contaminated gases.
“Metal-Organic Frameworks (MOFs) often face stability issues when exposed to contaminated gases.”
From Metals incorporated agricultural waste corn Cob-based biochar used as an adsorbent for CO2 capturing (2025) · cites this paper as [19]
The Introduction reports that some MOFs lose structural stability after exposure to moisture in the vapor phase, even in small amounts. That supports stability concerns for water-contaminated gas, but the paper does not establish the broader claim for contaminated gases generally. (LLM, conf=0.83)
Experimental — accuracy not yet measured
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Cites
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652 · cited 1× · see citing works
“Full cell geometry optimization was performed for all of these 35 MOFs with plane-wave DFT calculations using the Vienna Ab initio Simulation Package (VASP) with D3 dispersion corrections 21 and the Perdew − Burke − Ernzerhof exchange − correlation functional.”
MethodGrimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3382344 · Cited by 59,686 · see citing works
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721 · see citing works
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945 · see citing works
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard, W. A., & Skiff, W. M. (1992) · Journal of the American Chemical Society · doi:10.1021/ja00051a040 · Cited by 10,603 · see citing works
The Cambridge Structural Database: a quarter of a million crystal structures and rising
Allen, F. H. (2002) · Acta Crystallographica Section B Structural Science · doi:10.1107/s0108768102003890 · Cited by 10,317 · see citing works
Water Stability and Adsorption in Metal–Organic Frameworks
Burtch, N. C., Jasuja, H., & Walton, K. S. (2014) · Chemical Reviews · doi:10.1021/cr5002589 · Cited by 2,762 · cited 6× · see citing works
“To achieve this goal, we first compare careful molecular simulations of defect-free (pristine) MOFs for structures that are known or predicted to have low kinetic stability or be unstable with respect to water from the work of Burtch et al. 18 and Batra et al. 20 A common, although not universal, outcome of these simu…”
BackgroundMethodInfluentialRASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
Dubbeldam, D., Calero, S., Ellis, D. E., & Snurr, R. Q. (2015) · Molecular Simulation · doi:10.1080/08927022.2015.1010082 · Cited by 1,972 · see citing works
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
Willems, T., Rycroft, C. H., Kazi, M., Meza, J. C., & Harańczyk, M. (2011) · Microporous and Mesoporous Materials · doi:10.1016/j.micromeso.2011.08.020 · Cited by 1,935 · see citing works
Defect‐Engineered Metal–Organic Frameworks
Fang, Z., Bueken, B., Vos, D. E. D., & Fischer, R. A. (2015) · Angewandte Chemie International Edition · doi:10.1002/anie.201411540 · Cited by 1,260 · see citing works
Characterization of metal-organic frameworks by water adsorption
Küsgens, P., Rose, M., Senkovska, I., Fröde, H., Henschel, A., Siegle, S., & Kaskel, S. (2008) · Microporous and Mesoporous Materials · doi:10.1016/j.micromeso.2008.11.020 · Cited by 1,093 · see citing works
Small-Pore Zeolites: Synthesis and Catalysis
Dusselier, M., & Davis, M. E. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00738 · Cited by 839 · cited 1× · see citing works
“43 We predicted the equilibrium water uptake in pristine MOFs at relative humidity (RH) ranging from 10 to 100%.”
BackgroundEffect of Water Adsorption on Retention of Structure and Surface Area of Metal–Organic Frameworks
Schoenecker, P. M., Carson, C. G., Jasuja, H., Flemming, C. J. J., & Walton, K. S. (2012) · Industrial & Engineering Chemistry Research · doi:10.1021/ie202325p · Cited by 559 · cited 2× · see citing works
“18,19 Walton and co-workers assigned stability classifications to more than 200 MOFs that have been experimentally characterized after water exposure.”
BackgroundManz, T. A., & Sholl, D. S. (2010) · Journal of Chemical Theory and Computation · doi:10.1021/ct100125x · Cited by 468 · cited 1× · see citing works
“23 For defect structure geometry optimization the cell shape and cell volume were kept fixed and the same functional and other computational details were used as those mentioned for the previous DFT calculations.”
MethodSelf-citationDefects in Metal–Organic Frameworks: Challenge or Opportunity?
Sholl, D. S., & Lively, R. P. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b01135 · Cited by 361 · see citing works
Self-citationForce-Field Prediction of Materials Properties in Metal-Organic Frameworks
Boyd, P. G., Moosavi, S. M., Witman, M. D., & Smit, B. (2016) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.6b02532 · Cited by 307 · see citing works
Vega, C., Abascal, J. L. F., & Nezbeda, I. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2215612 · Cited by 286 · see citing works
Water adsorption in UiO-66: the importance of defects
Ghosh, P., Colón, Y. J., & Snurr, R. Q. (2014) · Chemical Communications · doi:10.1039/c4cc04945d · Cited by 284 · see citing works
Applications of machine learning in metal-organic frameworks
Chong, S., Lee, S., Kim, B., & Kim, J. (2020) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2020.213487 · Cited by 224 · see citing works
Yuan, L., Tian, M. L., Lan, J., Cao, X., Wang, X., Chai, Z., Gibson, J. K., & Shi, W. (2017) · Chemical Communications · doi:10.1039/c7cc07527h · Cited by 218 · see citing works
Prediction of water stability of metal–organic frameworks using machine learning
Batra, R., Chen, C., Evans, T. G., Walton, K. S., & Ramprasad, R. (2020) · Nature Machine Intelligence · doi:10.1038/s42256-020-00249-z · Cited by 201 · cited 6× · see citing works
“The remaining 16 MOFs came from the ML model predictions of Batra et al., 20 which does not distinguish between materials with “low kinetic stability” and materials that are “unstable” (see Table S1).”
BackgroundMethodInfluentialiRASPA: GPU-accelerated visualization software for materials scientists
Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2018) · Molecular Simulation · doi:10.1080/08927022.2018.1426855 · Cited by 187 · see citing works
Zhang, C., Han, C., Sholl, D. S., & Schmidt, J. R. (2016) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b02683 · Cited by 156 · see citing works
Self-citationLarge-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory
Nazarian, D., Camp, J. S., Chung, Y. G., Snurr, R. Q., & Sholl, D. S. (2016) · Chemistry of Materials · doi:10.1021/acs.chemmater.6b04226 · Cited by 135 · see citing works
Self-citationRole of Structural Defects in the Water Adsorption Properties of MOF-801
Choi, J., Lin, L., & Grossman, J. C. (2018) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.8b00014 · Cited by 134 · cited 1× · see citing works
“9 Choi et al. using Monte Carlo and DFT calculations to examine the role of structural defects on water adsorption in MOF-801 16 found that a high concentration of defects in the simulated structures was necessary to agree with experimental adsorption results.”
BackgroundZhang, H., & Snurr, R. Q. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b06405 · Cited by 116 · see citing works
Xu, W., Zhang, Y., Wang, J., Xu, Y., Bian, L., Ju, Q., Wang, Y., & Fang, Z. (2022) · Nature Communications · doi:10.1038/s41467-022-29736-0 · Cited by 110 · see citing works
Tang, H., Xu, Q., Wang, M., & Jiang, J. (2021) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.1c13786 · Cited by 103 · see citing works
Burner, J., Schwiedrzik, L., Krykunov, M., Luo, J., Boyd, P. G., & Woo, T. K. (2020) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.0c06334 · Cited by 96 · see citing works
Defect-engineering of Zr(IV)-based metal-organic frameworks for regulating CO2 photoreduction
Wang, S., Gu, X., Wang, X., Zhang, X., Dao, X., Cheng, X., Ma, J., & Sun, W. (2021) · Chemical Engineering Journal · doi:10.1016/j.cej.2021.132157 · Cited by 87 · see citing works
Rogge, S. M. J., Goeminne, R., Demuynck, R., Gutiérrez‐Sevillano, J. J., Vandenbrande, S., Vanduyfhuys, L., Waroquier, M., Verstraelen, T., & Speybroeck, V. V. (2019) · Advanced Theory and Simulations · doi:10.1002/adts.201800177 · Cited by 86 · see citing works
Gurnani, R., Yu, Z., Kim, C., Sholl, D. S., & Ramprasad, R. (2021) · Chemistry of Materials · doi:10.1021/acs.chemmater.0c04729 · Cited by 64 · see citing works
Self-citationDoes repeat synthesis in materials chemistry obey a power law?
Agrawal, M., Han, R., Herath, D., & Sholl, D. S. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1918484117 · Cited by 58 · see citing works
Self-citationApplicability of Tail Corrections in the Molecular Simulations of Porous Materials
Jablonka, K. M., Ongari, D., & Smit, B. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00586 · Cited by 52 · see citing works
Zang, J., Chempath, S., Konduri, S., Nair, S., & Sholl, D. S. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz100219q · Cited by 51 · see citing works
Self-citationInfluence of Missing Linker Defects on the Thermal Conductivity of Metal–Organic Framework HKUST-1
Islamov, M., Babaei, H., & Wilmer, C. E. (2020) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.0c16127 · Cited by 51 · see citing works
Yu, X., Choi, S., Tang, D., Medford, A. J., & Sholl, D. S. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c05266 · Cited by 46 · see citing works
Self-citationFan, Z., Wang, Z., Cokoja, M., & Fischer, R. A. (2021) · Catalysis Science & Technology · doi:10.1039/d0cy01946a · Cited by 39 · see citing works
The impact of framework flexibility and defects on the water adsorption in CAU-10-H
Grenev, I. V., Shubin, A. A., Solovyeva, M. V., & Gordeeva, L. G. (2021) · Physical Chemistry Chemical Physics · doi:10.1039/d1cp03242a · Cited by 30 · see citing works
Effect of Loading on the Water Stability of the Metal–Organic Framework DMOF-1 [Zn(bdc)(dabco)0.5]
Chen, C., Yu, Z., Sholl, D. S., & Walton, K. S. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c00693 · Cited by 27 · see citing works
Self-citationComputational Model and Characterization of Stacking Faults in ZIF-8 Polymorphs
Han, R., & Sholl, D. S. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.6b09317 · Cited by 23 · cited 1× · see citing works
“26 In this work, we studied the influence of linker vacancy and dangling linker defects.”
BackgroundSelf-citationPropagation of Degradation-Induced Defects in Zeolitic Imidazolate Frameworks
Han, R., Tymińska, N., Schmidt, J. R., & Sholl, D. S. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b00304 · Cited by 22 · see citing works
Self-citationTang, D., Kupgan, G., Colina, C. M., & Sholl, D. S. (2019) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.9b04413 · Cited by 21 · see citing works
Self-citationYu, Z., Jamdade, S., Yu, X., Cai, X., & Sholl, D. S. (2023) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.3c01524 · Cited by 19 · see citing works
Self-citationGharagheizi, F., Yu, Z., & Sholl, D. S. (2022) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.2c12485 · Cited by 17 · see citing works
Self-citationKinetic Model of Acid Gas Induced Defect Propagation in Zeolitic Imidazolate Frameworks
Cui, K., Nair, S., Sholl, D. S., & Schmidt, J. R. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c01516 · Cited by 15 · see citing works
Self-citationGong, Y., Cai, X., You, W., Jiang, X., Liu, W., Lively, R. P., Walton, K. S., & Sholl, D. S. (2023) · Chemistry of Materials · doi:10.1021/acs.chemmater.3c00065 · Cited by 15 · see citing works
Self-citationWang, S., Oliver, M. C., An, Y., Chen, E., Su, Z., Kleinhammes, A., Wu, Y., & Huang, L. (2021) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.0c11252 · Cited by 14 · see citing works
Point Defects Control Guest Molecule Diffusion in the 1D Pores of Zn(tbip)
Cai, X., & Sholl, D. S. (2022) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.2c04175 · Cited by 13 · see citing works
Self-citation
Flagged first, then by citations
Research works printed but not linked: 1
- Zhang H. D.; Snurr R. Computational Study of Water Adsorption in the Hydrophobic Metal-Organic Framework ZIF-8: Adsorption Mechanism and Acceleration of the Simulations. J. Phys. Chem. C 2017, 121 (43), 24000– 24010. 10.1021/acs.jpcc.7b06405. · DOI
Cited by
Sorted by citations
Kazemi, A., Pordsari, M. A., Tamtaji, M., Afshari, M. H., Keshavarz, S., Zeinali, F., Baesmat, H., Zahiri, S., Manteghi, F., Ghaemi, A., et al. (2024) · Chemical Engineering Journal · doi:10.1016/j.cej.2024.153049 · Cited by 109 · see citing works
Zhao, G., Brabson, L. M., Chheda, S. P., Huang, J. H., Kim, H., Liu, K., Mochida, K., Pham, T. D., Prerna, Terrones, G., et al. (2024) · Matter · doi:10.1016/j.matt.2025.102140 · Cited by 108 · see citing works
Self-citationTerrones, G., Huang, S., Rivera, M. P., Yue, S., Hernandez, A., & Kulik, H. J. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.4c05879 · Cited by 88 · see citing works
Recent progress in MOF-based biopolymer composites for wastewater detoxification
Salahshoori, I., Golriz, M., Jorabchi, M. N., Moghari, S., & Khonakdar, H. A. (2025) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2025.216919 · Cited by 38 · see citing works
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Temmerman, W., Goeminne, R., Rawat, K. S., & Speybroeck, V. V. (2024) · Advanced Materials · doi:10.1002/adma.202412005 · Cited by 24 · see citing works
The dynamic adaptability of mixed-ligand zinc MOFs: from fundaments to applications
Daolio, A., Giovanardi, D., Mazzeo, P. P., Pelagatti, P., & Bacchi, A. (2026) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2025.217509 · Cited by 21 · see citing works
Zhang, H., Li, J., Huang, H., Zou, J., Huo, W., Li, Y., & Li, Y. (2025) · Separation and Purification Technology · doi:10.1016/j.seppur.2025.131561 · Cited by 18 · see citing works
Ahmad, M. S., & Rasheed, T. (2025) · Journal of Materials Chemistry A · doi:10.1039/d4ta09189b · Cited by 17 · see citing works
Tian, S. I. P., Wang, J., Jie, Y., Ding, Z., Wang, X., Wang, J., & Hou, X. (2024) · Microchimica Acta · doi:10.1007/s00604-024-06854-8 · Cited by 16 · see citing works
Recent Developments in Metal‐Organic Frameworks for Water Purification: A Mini Review
Rana, S., Kumar, Y., Kaushik, R., & Kumar, L. S. (2024) · ChemistrySelect · doi:10.1002/slct.202403309 · Cited by 15 · see citing works
Jideani, T., Seroka, N. S., & Khotseng, L. E. (2025) · ChemistryOpen · doi:10.1002/open.202500353 · Cited by 12 · see citing works
CO2 Capture using functionalized metal organic frameworks: A review
Abudeeb, A. M., Almakhadmeh, M. N., & Onaizi, S. A. (2025) · Surfaces and Interfaces · doi:10.1016/j.surfin.2025.107381 · Cited by 10 · see citing works
Water-induced defect engineering in metal-organic frameworks toward enhanced gas-sensing performance
Qin, Z., Zhang, P., Chang, B., Bao, L., Wang, Q., Zhou, W., Zeng, D., & Lu, X. (2025) · Science China Chemistry · doi:10.1007/s11426-025-2946-1 · Cited by 8 · see citing works
An, H.-E., Kim, W., Shin, D. Y., Park, S., Yoon, E., Kim, D. W., Hong, C. S., Park, S., Oh, H., Lee, J., et al. (2025) · Chemical Engineering Journal · doi:10.1016/j.cej.2025.163083 · Cited by 6 · see citing works
Lu, D., Cheng, Z., Klomkliang, N., Koo-amornpattana, W., Verpoort, F., & Chaemchuen, S. (2024) · Materials Today Chemistry · doi:10.1016/j.mtchem.2024.102420 · Cited by 5 · see citing works
Zhao, J., Wang, Y., & Liu, B. (2025) · Biosensors · doi:10.3390/bios15040227 · Cited by 5 · see citing works
“Similar mechanisms have been reported in MOF studies [173], where moderate defect incorporation enhances functionality.”
Research progress on defective regulation and photocatalytic performance optimization of MOFs
Wang, X., Sun, M., Li, R., Liu, Y., & Li, C. (2025) · Catalysis Science & Technology · doi:10.1039/d5cy01264c · Cited by 5 · see citing works
Defect location dictates water adsorption enthalpy in CAU-10-H MOFs: A first-principles perspective
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Ahmed, S., Hossain, D., Dipti, S. S., Karim, M. A., & Azad, M. A. K. (2025) · Scientific Reports · doi:10.1038/s41598-025-31699-3 · Cited by 4 · see citing works
Sahin, M. A. Z., Karim, M. M., Lasker, T., Sourav, A. H., & Saputra, H. A. (2025) · Journal of Materials Science · doi:10.1007/s10853-025-11217-6 · Cited by 3 · see citing works
“Synthesis conditions significantly influence drug-loading capacity, release profiles, and therapeutic activity [240].”
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Chng, J. Y., & Sholl, D. S. (2025) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5c04283 · Cited by 3 · see citing works
Self-citationQin, S., Qiu, X., Chen, Q., Huang, X., Liao, X., Deng, B., & Li, X. (2025) · Journal of environmental chemical engineering · doi:10.1016/j.jece.2025.120396 · Cited by 2 · see citing works
Polash, S. A., Poddar, A., Carraro, F., Bryant, G., Falcaro, P., & Shukla, R. (2025) · RSC Applied Interfaces · doi:10.1039/d5lf00306g · Cited by 2 · see citing works
Salinger, J. L., & Walton, K. S. (2026) · Langmuir · doi:10.1021/acs.langmuir.5c04423 · Cited by 2 · see citing works
Shah, M. U. H., Ahmad, R., Mannafi, A. S. M., Abbas, M., Fadhillah, F., Ali, S. A., Sopian, K. K., & Assadi, A. A. (2026) · Advanced Sustainable Systems · doi:10.1002/adsu.70460 · Cited by 2 · see citing works
“For MOFs, key properties that dominate performance enhancement include water stability, particle dispersibility, surface wettability, and pore/particle size [58].”
Terrones, G., Huang, S., Rivera, M. P., Yue, S., Hernandez, A., & Kulik, H. J. (2024) · ChemRxiv · doi:10.26434/chemrxiv-2024-91dbd · Cited by 2 · see citing works
Mohammadpour, M., & Mohammadpour, A. (2026) · Journal of environmental chemical engineering · doi:10.1016/j.jece.2026.122292 · Cited by 1 · see citing works
Sarkisov, L. (2026) · Langmuir · doi:10.1021/acs.langmuir.6c01647 · Cited by 1 · see citing works
Li, C., Meng, Z., Li, Y., Zhang, Y., & Zhang, H. (2026) · Separation and Purification Technology · doi:10.1016/j.seppur.2026.139841 · Cited by 1 · see citing works
Terrones, G., Huang, S., Rivera, M. P., Yue, S., Hernandez, A., & Kulik, H. J. (2024) · ChemRxiv · doi:10.26434/chemrxiv-2024-91dbd-v2 · Cited by 1 · see citing works
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Díaz-Ramírez, M. L., Peralta, R. A., Obeso, J. L., Martínez, M. L., Huxley, M. T., & Ibarra, I. A. (2026) · Royal Society of Chemistry eBooks · doi:10.1039/9781837677566-00210
Recent Advances in Metal–Organic Frameworks as Functional Coatings for Biosensor Construction
Li, D., Zhang, W., Han, M., Hou, J., Liu, W., Lei, Y., Qiu, L., & Song, J. (2026) · Coatings · doi:10.3390/coatings16091065
Marttinen, A., & Lahtinen, M. (2026) · RSC Advances · doi:10.1039/d6ra08963a
“Some studies have suggested a relationship between decreased water stability and the presence of defects in MOF structures 44,45 whereas others have reported enhanced photocatalytic performance in defect-engineered MOF structures.”
- Authors
- Jamdade, S., Yu, Z., Boulfelfel, S. E., Cai, X., Thyagarajan, R., Fang, H., & Sholl, D. S.
- Affiliations
- Georgia Institute of Technology (US)
- Oak Ridge National Laboratory (US)
- Corresponding author
- Sholl, David S.
- ORCID
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2024-02-23
- Volume
- 128
- Issue
- 9
- Pages
- 3975-3984
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- PMC
- PMC10926153
- OpenAlex
- W4392123897
- Cited by
- 34
- References
- 49
- Citations by year
- 2026: 10 · 2025: 15 · 2024: 9
- FWCI
- 3.76
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- The Journal of Physical Chemistry C (publishedVersion, cc-by)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- Funders
- Basic Energy Sciences (DE-SC0012577)
- Topics
- Physical Sciences › Chemistry › Inorganic Chemistry › Metal-Organic Frameworks: Synthesis and Applications
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Materials Science › Materials Chemistry › Covalent Organic Framework Applications
- Keywords
- metal-organic frameworks, point defects, water stability, hydrophilicity, defect engineering, crystal defects, molecular simulation, framework flexibility, hydrophobicity prediction
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