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Journal ArticleDOI

Defibrillation of soft porous metal-organic frameworks with electric fields

TLDR
Permeation measurements under a direct-current E-field poling of 500 volts per millimeter showed reversibly controlled switching of the ZIF-8 into polar polymorphs, which was confirmed by x-ray diffraction and ab initio calculations, and a defibrillation of the different lattice motions.
Abstract
Gas transport through metal-organic framework membranes (MOFs) was switched in situ by applying an external electric field (E-field). The switching of gas permeation upon E-field polarization could be explained by the structural transformation of the zeolitic imidazolate framework ZIF-8 into polymorphs with more rigid lattices. Permeation measurements under a direct-current E-field poling of 500 volts per millimeter showed reversibly controlled switching of the ZIF-8 into polar polymorphs, which was confirmed by x-ray diffraction and ab initio calculations. The stiffening of the lattice causes a reduction in gas transport through the membrane and sharpens the molecular sieving capability. Dielectric spectroscopy, polarization, and deuterium nuclear magnetic resonance studies revealed low-frequency resonances of ZIF-8 that we attribute to lattice flexibility and linker movement. Upon E-field polarization, we observed a defibrillation of the different lattice motions.

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Citations
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Journal ArticleDOI

Porous metal-organic frameworks for gas storage and separation: Status and challenges

TL;DR: In this article, the authors summarize and highlight the recent advances in the arena of gas storage and separation using metal-organic frameworks (MOFs) as adsorbents, including progresses in MOF-based membranes for gas separation.
Journal ArticleDOI

Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations.

TL;DR: Efficient incorporation of engineered submicrometre-sized metal–organic framework (MOF) crystals into polymers to form hybrid materials that successfully translate the excellent molecular sieving properties of face-centred cubic (fcu)-MOFs into the resultant membranes are reported on.
Journal ArticleDOI

Energy-efficient separation alternatives: metal-organic frameworks and membranes for hydrocarbon separation.

TL;DR: This critical review presents the recent progress in metal-organic frameworks (MOFs) and related membranes (e.g., continuous MOF membranes and mixed-matrix membranes) for hydrocarbon separation and summarizes the potential barriers that exist from the academic to the ultimate industrial implementations and the prospects of future development.
Journal ArticleDOI

Unveiling dual-linkage 3D hexaiminobenzene metal–organic frameworks towards long-lasting advanced reversible Zn–air batteries

TL;DR: In this paper, a dual-linked hexaiminobenzene metal-organic framework (Mn/Fe-HIB-MOF)-based bifunctional oxygen electrocatalysts and superionic functionalized bio-cellulose electrolytes (SFOE) was proposed for rechargeable Zn-air batteries.
Journal ArticleDOI

Destruction of Metal-Organic Frameworks: Positive and Negative Aspects of Stability and Lability.

TL;DR: This Review provides an overview of the situations where MOFs undergo destruction due to external stimuli and offers guidelines to avoid unwanted degradation happened to the framework and highlights cases that utilize MOF instability to fabricate varying materials.
References
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Journal ArticleDOI

Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data

TL;DR: It is shown that the effective atomic C6 coefficients depend strongly on the bonding environment of an atom in a molecule, and the van der Waals radii and the damping function in the C6R(-6) correction method for density-functional theory calculations.
Journal ArticleDOI

An approach to computing electrostatic charges for molecules

TL;DR: In this article, an approach for deriving net atomic charges from ab initio quantum mechanical calculations using a least squares fit of the quantum mechanically calculated electrostatic potential to that of the partial charge model is presented.
Journal ArticleDOI

Charge equilibration for molecular dynamics simulations

TL;DR: In this paper, an approach for predicting charge distributions in molecules for use in molecular dynamics simulations is presented, where an atomic chemical potential is constructed by using these quantities plus shielded electrostatic interactions between all charges.
Journal ArticleDOI

Soft porous crystals

TL;DR: The concept of the cooperative integration of 'softness' and 'regularity' and the relationship between the structures and properties of these materials in view of their practical applications are discussed.
Journal ArticleDOI

Large breathing effects in three-dimensional porous hybrid matter: facts, analyses, rules and consequences

TL;DR: This critical review focuses on a strange behaviour of crystallized solid matter: its reversible swelling with large magnitude: its consequences concern specific applications related to sensors, energy savings, sustainable development and health.
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