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MOFs in Motion: Piezoelectricity and Rotational Dynamics of linkers in Metal-Organic Frameworks

Mula, S. (author)

Metal–organic frameworks (MOFs) are a class of hybrid materials with metal-based inorganic nodes connected by organic linkers via strong coordination bonds. These building blocks can be arranged in 3-D crystalline lattices to synthesize structures with varying pore sizes and a variety of structures (tuneability). These hybrid materials possess...

doctoral thesis 2024

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The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation

Wasik, Dominika O. (author), Vicent-Luna, José Manuel (author), Luna-Triguero, Azahara (author), Dubbeldam, David (author), Vlugt, T.J.H. (author), Calero, Sofía (author)

The series of metal–organic frameworks M-MOF-74 gained popularity in the field of capture and separation of CO₂ due to the presence of numerous, highly reactive open-metal sites. The description of effective interactions between guest molecules and open-metal sites without accounting for polarization effects is challenging but it...

journal article 2024

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A Mini Review of Ceramic-Based MOF Membranes for Water Treatment

Wang, Xueling (author), Wang, Man (author), Chen, M. (author), Zhang, Yatao (author)

Ceramic membranes have been increasingly employed in water treatment owing to their merits such as high-stability, anti-oxidation, long lifespan and environmental friendliness. The application of ceramic membranes mainly focuses on microfiltration and ultrafiltration processes, and some precise separation can be achieved by introducing novel...

journal article 2023

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Confined Water Cluster Formation in Water Harvesting by Metal–Organic Frameworks: CAU-10-H versus CAU-10-CH₃

van der Veen, M.A. (author), Canossa, S. (author), Wahiduzzaman, Mohammad (author), Nenert, Gwilherm (author), Frohlich, Dominik (author), Rega, D. (author), Reinsch, Helge (author), Shupletsov, Leonid (author), Markey, Karen (author)

Several metal–organic frameworks (MOFs) excel in harvesting water from the air or as heat pumps as they show a steep increase in water uptake at 10–30 % relative humidity (RH%). A precise understanding of which structural characteristics govern such behavior is lacking. Herein, CAU-10-H and CAU-10-CH₃ are studied with -H, -CH<sub>3...

journal article 2023

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Promoting Photocatalytic Activity of NH₂-MIL-125(Ti) for H₂ Evolution Reaction through Creation of Ti^III- and Co^I-Based Proton Reduction Sites

Kavun, Vitalii (author), Uslamin, E. (author), van der Linden, B. (author), Canossa, Stefano (author), Goryachev, A. (author), Bos, Emma E. (author), Garcia Santaclara, J. (author), Smolentsev, Grigory (author), Repo, Eveliina (author), van der Veen, M.A. (author)

Titanium-based metal-organic framework, NH2-MIL-125(Ti), has been widely investigated for photocatalytic applications but has low activity in the hydrogen evolution reaction (HER). In this work, we show a one-step low-cost postmodification of NH2-MIL-125(Ti) via impregnation of Co(NO3)2. The resulting Co@NH2-MIL-125(Ti) with embedded single...

journal article 2023

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Functional materials for MEMS based gas sensors

Ramachandrappa Venkatesh, M. (author)

A MEMS gas sensor consists of a transducer, mainly a resistive or capacitive transducer coated with a thin film of specific functional materials. Functional materials can change their electrical, optical, magnetic, or mechanical properties based on the stimuli received. In a chemi-resistive or chemi-capacitive gas sensing system, thin film of...

doctoral thesis 2022

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3D-Printed Metal–Organic Framework-Derived Composites for Enhanced Photocatalytic Hydrogen Generation

Hussain, M.Z. (author), Großmann, Paula F. (author), Kohler, Fabian (author), Kratky, Tim (author), Kronthaler, Laura (author), van der Linden, B. (author), Rodewald, Katia (author), Rieger, Bernhard (author), Fischer, Roland A. (author), Xia, Yongde (author)

Direct ink writing technique is used to 3D print Ti-metal–organic framework (MOF) NH₂-MIL-125 mixed with boehmite dispersal. Pt is also deposited onto 3D-printed monolith using atomic layer deposition (ALD) to offer additional catalytic sites. The Ti-MOF-derived powder sample and the pyrolyzed 3D-printed monolith samples are...

journal article 2022

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The Influence of UiO-66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers

Sławek, Andrzej (author), Jajko, Gabriela (author), Ogorzały, Karolina (author), Dubbeldam, David (author), Vlugt, T.J.H. (author), Makowski, Wacław (author)

In this work, adsorption properties of the UiO-66 metal–organic framework were investigated, with particular emphasis on the influence of structural defects. A series of UiO-66 samples were synthesized and characterized using a wide range of experimental techniques. Type I adsorption isotherms for low-temperature adsorption of N₂...

journal article 2022

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Structure-Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study

Mula, S. (author), Donà, Lorenzo (author), Civalleri, Bartolomeo (author), van der Veen, M.A. (author)

Metal-organic frameworks (MOFs) are a class of nanoporous crystalline materials with very high structural tunability. They possess a very low dielectric permittivity ϵr due to their porosity and hence are favorable for piezoelectric energy harvesting. Even though they have huge potential as piezoelectric materials, a detailed analysis and...

journal article 2022

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Molecular-level understanding of highly selective heavy rare earth element uptake by organophosphorus modified MIL-101(Cr)

Keshavarz, Fatemeh (author), Kavun, V. (author), van der Veen, M.A. (author), Repo, Eveliina (author), Barbiellini, Bernardo (author)

Selective separation of rare earth elements (REEs) from solutions of mixed heavy and light metals by solid adsorbents is an important challenge in the fields of water treatment and metal recovery. The main challenge is water instability of many adsorbents, specifically metal–organic frameworks (MOFs), and their low selectivity. Grafting...

journal article 2022

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Emergent rotational dynamics and optical properties of metal–organic frameworks

Gonzalez Nelson, A.M. (author)

Metal–organic frameworks (MOFs) are ordered arrays of polytopic organic ligands, commonly called linkers, which interconnect metal-based inorganic building units via coordination bonds. The highly precise assembly of well defined building blocks into extended 3-D networks, known as reticular chemistry, has allowed researchers in this field to...

doctoral thesis 2021

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Surface functionalized N-C-TiO₂/C nanocomposites derived from metal-organic framework in water vapour for enhanced photocatalytic H₂ generation

Hussain, Mian Zahid (author), Yang, Zhuxian (author), van der Linden, B. (author), Huang, Zheng (author), Jia, Quanli (author), Cerrato, Erik (author), Fischer, Roland A. (author), Kapteijn, F. (author), Zhu, Yanqiu (author), Xia, Yongde (author)

Surface-functionalized nitrogen/carbon co-doped polymorphic TiO₂ phase junction nanoparticles uniformly distributed in porous carbon matrix were synthesized by a simple one-step pyrolysis of titanium based metal–organic framework (MOF), NH₂-MIL-125(Ti) at 700 °C under water vapour atmosphere. Introducing water vapour...

journal article 2021

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Selective recovery and separation of rare earth elements by organophosphorus modified MIL-101(Cr)

Kavun, V. (author), van der Veen, M.A. (author), Repo, Eveliina (author)

Development of state-of-the-art selective adsorbent materials for recovery of rare earth elements (REEs) is essential for their sustainable usage. In this study, a metal-organic framework (MOF), MIL-101(Cr), was synthesized and post-synthetically modified with optimised loading of the organophosphorus compounds tributyl phosphate (TBP), bis(2...

journal article 2020

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Overcoming Crystallinity Limitations of Aluminium Metal-Organic Frameworks by Oxalic Acid Modulated Synthesis

Canossa, S. (author), Gonzalez Nelson, A.M. (author), Shupletsov, Leonid (author), del Carmen Martin, Maria (author), van der Veen, M.A. (author)

A modulated synthesis approach based on the chelating properties of oxalic acid (H₂C₂O₄) is presented as a robust and versatile method to achieve highly crystalline Al-based metal-organic frameworks. A comparative study on this method and the already established modulation by hydrofluoric acid was conducted...

journal article 2020

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Molecular simulation of tunable materials: Metal-organic frameworks & ionic liquids theory & application

Becker, T. (author)

Undoubtedly, materials that can be tuned on a molecular level offer tremendous opportunities. However, to understand and customize such materials is challenging. In this context, molecular simulation can be helpful. The work presented in this thesis deals with two types of materials, Metal-Organic Frameworks and Ionic Liquids, and the study with...

doctoral thesis 2019

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Ultrafast Melting of Metal–Organic Frameworks for Advanced Nanophotonics

Kulachenkov, Nikita K. (author), Bruyere, Stéphanie (author), Sapchenko, Sergey A. (author), Mezenov, Yuri A. (author), Sun, D. (author), Krasilin, Andrei A. (author), Nominé, Alexandre (author), Pidko, E.A. (author), Milichko, Valentin A. (author)

The conversion of metal–organic frameworks (MOFs) into derivatives with a well-defined shape and composition is considered a reliable way to produce efficient catalysts and energy capacitors at the nanometer scale. Yet, approaches based on conventional melting of MOFs provide the derivatives such as amorphous carbon, metal oxides, or metallic...

journal article 2019

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Toward Optimal Metal–Organic Frameworks for Adsorption Chillers: Insights from the Scale-Up of MIL-101(Cr) and NH₂-MIL-125

Graf, Stefan (author), Redder, Florian (author), Bau, Uwe (author), de Lange, M.F. (author), Kapteijn, F. (author), Bardow, André (author)

The metal–organic frameworks (MOFs) MIL-101(Cr) and NH₂-MIL-125 offer high adsorption capacities and have therefore been suggested for sustainable energy conversion in adsorption chillers. Herein, these MOFs are benchmarked to commercial Siogel. The evaluation method combines small-scale experiments with dynamic modeling of full...

journal article 2019

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Engineering Metal–Organic Frameworks for the Electrochemical Reduction of CO₂: A Minireview

Wang, R. (author), Kapteijn, F. (author), Gascon, Jorge (author)

The electrochemical reduction of CO₂ holds great promise for lowering the concentration of CO₂ in the Earth′s atmosphere. However, several challenges have hindered the commercialization of this technology, including energy efficiency, the solubility of CO₂ in the aqueous phase, and electrode stability. In this...

review 2019

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Porous Metal-Organic Framework CUK-1 for Adsorption Heat Allocation toward Green Applications of Natural Refrigerant Water

Lee, Ji Sun (author), Yoon, Ji Woong (author), Mileo, Paulo G.M. (author), Cho, Kyung Ho (author), Park, Jaedeuk (author), Kim, Kiwoong (author), Kim, Hyungjun (author), de Lange, M.F. (author), Kapteijn, F. (author)

The development of new water adsorbents that are hydrothermally stable and can operate more efficiently than existing materials is essential for the advancement of water adsorption-driven chillers. Most of the existing benchmark materials and related systems in this field suffer from clear limitations that must be overcome to meet global...

journal article 2019

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High performance mixed matrix membranes (MMMs) composed of ZIF-94 filler and 6FDA-DAM polymer

Etxeberria Benavides, M. (author), David, Oana (author), Johnson, Timothy (author), Łozińska, Magdalena M. (author), Orsi, Angelica (author), Wright, Paul A. (author), Mastel, Stefan (author), Hillenbrand, Rainer (author), Kapteijn, F. (author), Gascon, Jorge (author)

Carbon capture and storage (CCS) using membranes for the separation of CO₂ holds great promise for the reduction of atmospheric CO₂ emissions from fuel combustion and industrial processes. Among the different process outlines, post-combustion CO₂ capture could be easily implemented in existing power plants....

journal article 2018