Phonons in deformable microporous crystalline solids

Author:

Kuchta Bogdan123,Formalik Filip14,Rogacka Justyna1,Neimark Alexander V.5,Firlej Lucyna36

Affiliation:

1. Group of Bioprocess and Biomedical Engineering, Faculty of Chemistry, Wroclaw University of Science and Technology , Wroclaw , Poland

2. MADIREL, CNRS, Aix-Marseille University , Marseille , France

3. Department of Physics and Astronomy , University of Missouri , Columbia, MO , USA

4. Department of Theoretical Physics, Faculty of Fundamental Problems of Technology , Wroclaw University of Science and Technology , Wroclaw , Poland

5. Department of Chemical and Biochemical Engineering , Rutgers University , New Jersey , USA

6. Laboratoire Charles Coulomb, UMR5221, University of Montpellier – CNRS , Montpellier , France

Abstract

Abstract Phonons are quantum elastic excitations of crystalline solids. Classically, they correspond to the collective vibrations of atoms in ordered periodic structures. They determine the thermodynamic properties of solids and their stability in the case of structural transformations. Here we review for the first time the existing examples of the phonon analysis of adsorption-induced transformations occurring in microporous crystalline materials. We discuss the role of phonons in determining the mechanism of the deformations. We point out that phonon-based methodology may be used as a predictive tool in characterization of flexible microporous structures; therefore, relevant numerical tools must be developed.

Funder

Polish National Science Center

AVN

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

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