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Article Dans Une Revue Journal of Materials Chemistry A Année : 2014

Guest-modulation of the mechanical properties of flexible porous metal-organic frameworks

Résumé

The highly flexible hybrid nanoporous MOF MIL-53(Cr) was evoked as a potential medium to store mechanical energy via a structural switching from an open to a close pore form under moderate applied external pressures. Herein, we show that the inclusion of a low concentration of either polar or apolar molecules into the pores can finely tune the structural and energetic behaviour of this solid under compression-decompression. This allows a modulation of the materials storage abilities in the form of not only nano-springs/dampers but also shock adsorbers by confining n-alkane and water-alcohol, respectively. Predicting and further understanding the impact of each guest on the mechanical properties of this MOF are achieved by molecular dynamics simulations based on a refined version of a flexible force field able to accurately capture the breathing of the framework. A careful analysis of the host-guest interactions and the preferential conformations of the confined molecules validated by in situ X-ray diffraction and microcalorimetry data shed light on the microscopic mechanisms at the origin of the singular mechanical behaviour of each guest loaded material.
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Dates et versions

hal-01063250 , version 1 (11-09-2014)

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Qintian Ma, Qingyuan Yang, Aziz Ghoufi, Ke Yang, Ming Lei, et al.. Guest-modulation of the mechanical properties of flexible porous metal-organic frameworks. Journal of Materials Chemistry A, 2014, 2 (25), pp.9691-9698. ⟨10.1039/c4ta00622d⟩. ⟨hal-01063250⟩
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