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Adsorption-Induced Breathing Transitions in Metal-Organic Frameworks

Fuchs, Alain H. / Coudert, François-Xavier / Triguero, Carles / Boutin, Anne / Neimark, Alexander V.

Breathing transitions represent recently discovered adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We present a multiscale physical mechanism of the dynamics of breathing transitions. We show that due to interplay between host framework elasticity and guest molecule adsorption, these transformations on the crystal level occur via layer-by-layer shear.

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Adsorption-Induced Breathing Transitions in Metal-Organic Frameworks

Fuchs, Alain H. / Coudert, François-Xavier / Triguero, Carles / Boutin, Anne / Neimark, Alexander V.

Breathing transitions represent recently discovered adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We present a multiscale physical mechanism of the dynamics of breathing transitions. We show that due to interplay between host framework elasticity and guest molecule adsorption, these transformations on the crystal level occur via layer-by-layer shear.

Adsorption-Induced Breathing Transitions in Metal-Organic Frameworks

Fuchs, Alain H. / Coudert, François-Xavier / Triguero, Carles / Boutin, Anne / Neimark, Alexander V.

Breathing transitions represent recently discovered adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We present a multiscale physical mechanism of the dynamics of breathing transitions. We show that due to interplay between host framework elasticity and guest molecule adsorption, these transformations on the crystal level occur via layer-by-layer shear.

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Title:

Adsorption-Induced Breathing Transitions in Metal-Organic Frameworks

Contributors:

Fuchs, Alain H. (author) / Coudert, François-Xavier (author) / Triguero, Carles (author) / Boutin, Anne (author) / Neimark, Alexander V. (author)

Conference:

Fifth Biot Conference on Poromechanics ; 2013 ; Vienna, Austria

Published in:

Poromechanics V ; 626-631

Publication date:

2013-06-18

ISBN:

DOI:

https://doi.org/10.1061/9780784412992.074

Type of media:

Conference paper

Type of material:

Electronic Resource

Language:

English

Keywords:

Wave propagation , Poroelasticity , Adsorption , Mechanics , Simulation , Porous media , Porosity , Elasticity

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