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A Design Principle for Predicting Flexible Metal-Organic Frameworks

Project description

Exploring the flexible structure of metal-organic frameworks

Metal-organic frameworks (MOFs) are porous materials with potential to address global challenges such as pollution, climate change and energy crisis. They are characterised by low mass densities, high internal surface areas, large pore volumes and facile chemistry. Certain MOFs display structural flexibility, reacting to external stimuli like pressure, heat or light, which could enable the development of recyclable filters, switchable catalysts, threshold sensors and more. Funded by the Marie Sklodowska-Curie Actions programme, the FlexiMOFs-2 project aims to provide a conceptual understanding of this flexibility, which remains poorly understood. Researchers will analyse the building blocks, topologies and frameworks of all published MOFs to predict their flexibility and mechanical properties. The ultimate goal is to formulate a method for designing flexible MOFs.

Objective

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.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

(opens in new window) HORIZON-MSCA-2022-PF-01

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Coordinator

TECHNISCHE UNIVERSITAET DRESDEN
Net EU contribution
€ 173 847,36
Address
HELMHOLTZSTRASSE 10
01069 Dresden
Germany
Region
Sachsen Dresden Dresden, Kreisfreie Stadt
Activity type
Higher or Secondary Education Establishments
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Total cost
No data

Partners (1)