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A Design Principle for Predicting Flexible Metal-Organic Frameworks

Metal-organic frameworks, MOFs, are porous organic-inorganic hybrid materials that hold the potential for developing new technologies to tackle some of the pressing global challenges such as pollution, climate change and energy cr... see more

31/08/2025

TUD

174K€

Project Budget: 174K€

Project leader

TECHNISCHE UNIVERSITAET DRESDEN No se ha especificado una descripción o un objeto social para esta compañía.

TRL 4-5

PARTICIPATION DEPralty Sin fecha límite de participación.

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Financing granted El organismo HORIZON EUROPE notifico la concesión del proyecto The day 2023-05-03

HORIZON-MSCA-2022-PF-01-01: MSCA Postdoctoral Fellowships 2022 Expected Outcome:

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Este proyecto no cuenta con búsquedas de partenariado abiertas en este momento.

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2 Participantes

TUD

173.85K€ | Leader

KIT

N.D. | participant

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Project duration: 27 months Date Start: 2023-05-03
End date: 2025-08-31

Project leader

TECHNISCHE UNIVERSITAET DRESDEN No se ha especificado una descripción o un objeto social para esta compañía.

TRL 4-5

Project Budget 174K€

participation deadline Sin fecha límite de participación.

Project description Metal-organic frameworks, MOFs, are porous organic-inorganic hybrid materials that hold the potential for developing new technologies to tackle some of the pressing global challenges such as pollution, climate change and energy crisis. Their typical low mass densities, high internal surface area, large pore volumes and facile chemistry makes them suitable for application in gas storage, filtration, extraction, catalysis and so on. Some MOFs are known to show a substantial degree of structural flexibility wherein the framework reversibly expands/contracts when subjected to external stimuli like pressure/heat/light or during absorption/desorption. This structural flexibility, if fully understood, can be used to enable the technological development of MOF-based recyclable filters, switchable catalysts, threshold sensors, stimulus-induced drug delivery systems with integrated key-lock functionality, compressible gas tanks and so on. However, the origin of this flexibility has not yet been sufficiently understood to enable the rational design of flexible MOFs. This research project aims to provide a conceptual understanding on the origin of this flexibility at the atomic regime by analysing all unique building units, topologies, and frameworks of all published MOFs to design a universally robust metric for predicting flexibility and mechanical properties of MOFs with the overarching goal of providing a theoretical methodology for the crystal engineering of flexible MOFs.

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