Stress-Based Model for the Breathing of Metal−Organic Frameworks - Archive ouverte HAL
Article Dans Une Revue Journal of Physical Chemistry Letters Année : 2009

Stress-Based Model for the Breathing of Metal−Organic Frameworks

Résumé

Gas adsorption in pores of flexible metal−organic frameworks (MOF) induces elastic deformation and structural transitions associated with stepwise expansion and contraction of the material, known as breathing transitions between large pore (lp) and narrow pore (np) phases. We present here a simple yet instructive model for the physical mechanism of this enigmatic phenomenon considering the adsorption-induced stress exerted on the material as a stimulus that triggers breathing transitions. The proposed model implies that the structural transitions in MOFs occur when the stress reaches a certain critical threshold. We showcase this model by drawing on the example of Xe adsorption in MIL-53 (Al) at 220 K, which exhibits two consecutive hysteretic breathing transitions between lp and np phases. We also propose an explanation for the experimentally observed coexistence of np and lp phases in MIL-53 materials.
Fichier principal
Vignette du fichier
postprint.pdf (968 Ko) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00548069 , version 1 (21-04-2019)

Identifiants

Citer

Alexander V Neimark, François-Xavier Coudert, Anne Boutin, Alain H. Fuchs. Stress-Based Model for the Breathing of Metal−Organic Frameworks. Journal of Physical Chemistry Letters, 2009, 1 (1), pp.445-449. ⟨10.1021/jz9003087⟩. ⟨hal-00548069⟩
102 Consultations
301 Téléchargements

Altmetric

Partager

More