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In situ synthesis of titanium doped hybrid metal–organic framework UiO-66 with enhanced adsorption capacity for organic dyes

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On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework

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On the importance of combining bulk- and surface-active sites to maximize the catalytic activity of metal–organic frameworks for the oxidative dehydrogenation of alcohols using alkyl hydroperoxides as hydride acceptors

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Recent advances in the computational chemistry of soft porous crystals

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MOFs vs. zeolites: carbonyl activation with M(iv) catalytic sites

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Dynamic Coordination Chemistry of Fluorinated Zr‐MOFs: Synthetic Control and Reassembly/Disassembly Beyond de Novo Synthesis to Tune the Structure and Property

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Chemistry A European J, 2020, 26, 8254
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Cu2O Mediated Synthesis of Metal–Organic Framework UiO-66 in Nanometer Scale

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Crystal Growth & Design, 2017, 17, 685
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What factors determine activity of UiO-66 in H2O2-based oxidation of thioethers? The role of basic sites

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Electronic Structure Modeling of Metal–Organic Frameworks

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Chem. Rev., 2020, 120, 8641
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Computational Investigation of Adsorptive Removal of Pb2+ from Water by the UiO-66 Metal–Organic Framework: Comparison of Adsorption Sites on Defects and Functionalised Linkers

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Australian Journal of Chemistry, 2022, 75, 142
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A Local Structure Analysis of Defects in UiO-66: Insights from Solid-State Nuclear Magnetic Resonance and X-ray Absorption Fine Structure

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J. Am. Chem. Soc., 2025, 147, 44200
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Hf-Based MOF for Rapid and Selective Sensing of a Nerve Agent Simulant and an Aminophenol: Insights from Experiments and Theory

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In Situ FTIR Spectroscopy for Scanning Accessible Active Sites in Defect-Engineered UiO-66

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Accelerated water stability test and lifetime prediction of metal-organic frameworks

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Chemistry Letters, 2024, 53
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Lattice-defective metal-organic framework membranes from filling mesoporous colloidal networks for monovalent ion separation

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Defective Metal‐Organic Frameworks

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Advanced Materials, 2018, 30
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Metal–Organic Frameworks in Heterogeneous Catalysis: Recent Progress, New Trends, and Future Perspectives

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Reaction mechanisms and rational design of MOF catalysts: insights from microscopic simulations

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Structure and Dynamics of Zr6O8 Metal–Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction

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J. Am. Chem. Soc., 2018, 140, 3751
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Experimental Demonstration of Dynamic Temperature-Dependent Behavior of UiO-66 Metal–Organic Framework: Compaction of Hydroxylated and Dehydroxylated Forms of UiO-66 for High-Pressure Hydrogen Storage

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ACS Appl. Mater. Interfaces, 2020, 12, 24883
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The role of cobalt to control the synthesis of nanoscale Co/UiO‐66 composite for photocatalysis

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Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal–Organic Frameworks

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Chem. Mater., 2021, 33, 910
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Defect Termination in the UiO-66 Family of Metal–Organic Frameworks: The Role of Water and Modulator

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J. Am. Chem. Soc., 2021, 143, 6328
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Capacity building in porous materials research for sustainable energy applications

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Computational Insights into As(V) Removal from Water by the UiO-66 Metal–Organic Framework

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Water-Induced Structural Transformations in Flexible Two-Dimensional Layered Conductive Metal–Organic Frameworks

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Chem. Mater., 2020, 32, 9664
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Monodentate AIEgen Anchored on Metal‐Organic Framework for Fast Fluorescence Sensing of Phosphate

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Continuous Flow Composite Membrane Catalysts for Efficient Decomposition of Chemical Warfare Agent Simulants

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ACS Appl. Mater. Interfaces, 2020, 12, 32778
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Mechanistic assessments of acetaldehyde aldol condensation under capillary condensation within defective Zr-MOFs

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Applied Catalysis B: Environment and Energy, 2025, 371, 125198
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Defect Engineering of MOF‐Based Membrane for Gas Separation

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Adv Funct Materials, 2023, 33
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Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn

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ACS Catal., 2017, 7, 7431
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Nature of active sites on UiO-66 and beneficial influence of water in the catalysis of Fischer esterification

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Journal of Catalysis, 2017, 352, 401
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Active Role of Methanol in Post-Synthetic Linker Exchange in the Metal–Organic Framework UiO-66

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Chem. Mater., 2019, 31, 1359
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Synthesis and Mechanical Properties of sub 5‐μm PolyUiO‐66 Thin Films on Gold Surfaces

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ChemPhysChem, 2022, 23
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Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO‐66

Chiara Caratelli, Julianna Hajek, Sven M. J. Rogge, Steven Vandenbrande, Evert Jan Meijer, Michel Waroquier and Veronique Van Speybroeck

ChemPhysChem, 2018, 19, 420
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Synthesis and Shaping Scale-up Study of Functionalized UiO-66 MOF for Ammonia Air Purification Filters

Yoldes Khabzina, Jeremy Dhainaut, Matthias Ahlhelm, Hans-Juergen Richter, Helge Reinsch, Norbert Stock and David Farrusseng

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Water Induced Structural Transformations in Flexible Two-Dimensional Layered Conductive Metal–Organic Frameworks

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Chem. Mater., 2022, 34, 7730
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Modulated Self-Assembly of Catalytically Active Metal–Organic Nanosheets Containing Zr6 Clusters and Dicarboxylate Ligands

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Solar-assisted photocatalytic water splitting using defective UiO-66 solids from modulated synthesis

Celia M. Rueda-Navarro, María Cabrero-Antonino, Paula Escamilla, Valentín Díez-Cabanes, Dong Fan, Pedro Atienzar, Belén Ferrer, Ignacio Vayá, Guillaume Maurin, Herme G. Baldoví and Sergio Navalón

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Structure and thermodynamics of water adsorption in NU-1500-Cr

Ching-Hwa Ho, Mason L. Valentine, Zhijie Chen, Haomiao Xie, Omar Farha, Wei Xiong and Francesco Paesani

Commun Chem, 2023, 6
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Defect location dictates water adsorption enthalpy in CAU-10-H MOFs: A first-principles perspective

Diego García-López, Giulia van Rossem, Norbert Stock, Alexandre F.P. Ferreira and Sofía Calero

Microporous and Mesoporous Materials, 2026, 404, 114053
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Recent advancement in consolidation of MOFs as absorbents for hydrogen storage

Rasidi Sule, Ajay K. Mishra and Thabo T. Nkambule

Int J Energy Res, 2021, 45, 12481
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Combined DFT and Kinetic Monte Carlo Study of UiO-66 Catalysts for γ-Valerolactone Production

Thanh-Hiep Thi Le, David Ferro-Costas, Antonio Fernández-Ramos and Manuel A. Ortuño

J. Phys. Chem. C, 2024, 128, 1049
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Influence of Defects and H2O on the Hydrogenation of CO2 to Methanol over Pt Nanoparticles in UiO-67 Metal–Organic Framework

Emil Sebastian Gutterød, Sri Harsha Pulumati, Gurpreet Kaur, Andrea Lazzarini, Bjørn Gading Solemsli, Anette Eleonora Gunnæs, Christian Ahoba-Sam, Maria Evangelou Kalyva, Johnny Andreas Sannes, Stian Svelle, Egill Skúlason, Ainara Nova and Unni Olsbye

J. Am. Chem. Soc., 2020, 142, 17105
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Evaluation of Semiempirical Quantum Mechanical Methods for Zr‐Based Metal–Organic Framework Catalysts

Thanh‐Hiep Thi Le, Pablo Gómez‐Orellana and Manuel Angel Ortuño

ChemPhysChem, 2025, 26
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Green solvents assisted de-novo synthesis and defect-engineered UiO-66 for improved CO2 adsorption and kinetics- experimental and DFT approach

Saleem Nawaz Khan and Ming Zhao

Carbon Capture Science & Technology, 2024, 13, 100335
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Fully-sulfonated hydrated UiO66 as efficient catalyst for ethyl levulinate production by esterification

Luca Desidery, Mekhman S. Yusubov, Serge Zhuiykov and Francis Verpoort

Catalysis Communications, 2018, 117, 33
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Exploring the Potential of Defective UiO-66 as Reverse Osmosis Membranes for Desalination

Qiang Lyu, Xuepeng Deng, Songqing Hu, Li-Chiang Lin and W.S. Winston Ho

J. Phys. Chem. C, 2019, 123, 16118
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Experimental Elucidation of a Cubane Water Cluster in the Hydrophobic Cavity of UiO‐66

Kazutaka Sonobe, Satoshi Tominaka and Akihiko Machida

ChemPhysChem, 2024, 25
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Direct synthesis of dimethyl carbonate from CO2 and methanol over trifluoroacetic acid modulated UiO-66

Keng Xuan, Yanfeng Pu, Feng Li, Aixue Li, Jing Luo, Lei Li, Feng Wang, Ning Zhao and Fukui Xiao

Journal of CO2 Utilization, 2018, 27, 272
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Missing Linkers: An Alternative Pathway to UiO-66 Electronic Structure Engineering

Arthur De Vos, Kevin Hendrickx, Pascal Van Der Voort, Veronique Van Speybroeck and Kurt Lejaeghere

Chem. Mater., 2017, 29, 3006
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Ultrafast and selective adsorption of pharmaceuticals from wastewater by precisely designed metal organic framework with missing linker defects

Yuhua Cao, Xiang Li and Bo Wang

Journal of Cleaner Production, 2022, 380, 135060
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Computational Mechanism of Methyl Levulinate Conversion to γ-Valerolactone on UiO-66 Metal Organic Frameworks

Manuel A. Ortuño, Marcos Rellán-Piñeiro and Rafael Luque

ACS Sustainable Chem. Eng., 2022, 10, 3567
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Computational Screening of Roles of Defects and Metal Substitution on Reactivity of Different Single- vs Double-Node Metal–Organic Frameworks for Sarin Decomposition

Mohammad R. Momeni and Christopher J. Cramer

J. Phys. Chem. C, 2019, 123, 15157
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Mechanical Properties in Metal–Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications

Nicholas C. Burtch, Jurn Heinen, Thomas D. Bennett, David Dubbeldam and Mark D. Allendorf

Advanced Materials, 2018, 30
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The Remarkable Amphoteric Nature of Defective UiO‐66 in Catalytic Reactions

Julianna Hajek, Bart Bueken, Michel Waroquier, Dirk De Vos and Veronique Van Speybroeck

ChemCatChem, 2017, 9, 2203
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Tailoring the Properties of UiO-66 through Defect Engineering: A Review

Yi Feng, Qian Chen, Minqi Jiang and Jianfeng Yao

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When defects turn into virtues: The curious case of zirconium-based metal-organic frameworks

Marco Taddei

Coordination Chemistry Reviews, 2017, 343, 1
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Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Varinia Bernales, Manuel A. Ortuño, Donald G. Truhlar, Christopher J. Cramer and Laura Gagliardi

ACS Cent. Sci., 2018, 4, 5
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Microwave‐heated γ‐Alumina Applied to the Reduction of Aldehydes to Alcohols

Bhausaheb Dhokale, Arturo Susarrey‐Arce, Anna Pekkari, August Runemark, Kasper Moth‐Poulsen, Christoph Langhammer, Hanna Härelind, Michael Busch, Matthias Vandichel and Henrik Sundén

ChemCatChem, 2020, 12, 6344
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Critical Role of Defects in UiO-66 Nanocrystals for Catalysis and Water Remediation

Asmaa Jrad, Ghewa Al Sabeh, Karen Hannouche, Rawan Al Natour, Ola Haidar, Hussein Sammoury, Mohammad N. Ahmad and Mohamad Hmadeh

ACS Appl. Nano Mater., 2023, 6, 18698
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