Perspectives on the influence of crystal size and morphology on the properties of porous framework materials

  • Miniaturization is a key aspect of materials science. Owing to the increase in quality experimental and computational tools available to researchers, it has become clear that the crystal size and morphology of porous framework materials, including metal-organic frameworks and covalent organic frameworks, play a vital role in defining the physicochemical behaviour of these materials. However, given the multiscale and multidisciplinary challenges associated with establishing how crystal size and morphology affect the structure and behaviour of a material–from local to global structural modifications and from static to dynamic effects–a comprehensive mechanistic understanding of size and morphology effects is missing. Herein, we provide our perspective on the current state-of-the-art of this topic, drawn from various complementary disciplines. From a fundamental point of view, we discuss how controlling the crystal size and morphology can alter the mechanical and adsorption properties ofMiniaturization is a key aspect of materials science. Owing to the increase in quality experimental and computational tools available to researchers, it has become clear that the crystal size and morphology of porous framework materials, including metal-organic frameworks and covalent organic frameworks, play a vital role in defining the physicochemical behaviour of these materials. However, given the multiscale and multidisciplinary challenges associated with establishing how crystal size and morphology affect the structure and behaviour of a material–from local to global structural modifications and from static to dynamic effects–a comprehensive mechanistic understanding of size and morphology effects is missing. Herein, we provide our perspective on the current state-of-the-art of this topic, drawn from various complementary disciplines. From a fundamental point of view, we discuss how controlling the crystal size and morphology can alter the mechanical and adsorption properties of porous framework materials and how this can impact phase stability. Special attention is also given to the quest to develop new computational tools capable of modelling these multiscale effects. From a more applied point of view, given the recent progress in this research field, we highlight the importance of crystal size and morphology control in drug delivery. Moreover, we provide an outlook on how to advance each discussed field by size and morphology control, which would open new design opportunities for functional porous framework materials.show moreshow less

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Metadaten
Author:Claire L. Hobday, Simon Krause, Sven M. J. Rogge, Jack D. Evans, Hana BunzenORCiDGND
URN:urn:nbn:de:bvb:384-opus4-909723
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/90972
ISSN:2296-2646OPAC
Parent Title (English):Frontiers in Chemistry
Publisher:Frontiers Media S.A.
Type:Article
Language:English
Date of first Publication:2021/11/11
Publishing Institution:Universität Augsburg
Release Date:2021/12/01
Tag:crystal size; metal-organic frameworks; soft porous crystals; mechanical stability; adsorption; molecular simulation; drug delivery
Volume:9
First Page:772059
DOI:https://doi.org/10.3389/fchem.2021.772059
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Festkörperchemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):CC-BY 4.0: Creative Commons: Namensnennung (mit Print on Demand)