Mechanistic insights into the deformation and degradation of a 2D metal organic framework

Abstract 2D metal-organic frameworks (2D-MOFs) materials can be subjected to various modes of mechanical stresses and strains in a wide range of applications, for which their mechanical properties are critical to reach practical implementations. Despite the rapid developments focused on the preparat...

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Main Authors: Hafeesudeen Sahabudeen, Qiang Zhang, Yue Liu, Matthias Heuchel, Rainhard Machatschek
Format: Article
Language:English
Published: Nature Portfolio 2023-04-01
Series:npj 2D Materials and Applications
Online Access:https://doi.org/10.1038/s41699-023-00391-3
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author Hafeesudeen Sahabudeen
Qiang Zhang
Yue Liu
Matthias Heuchel
Rainhard Machatschek
author_facet Hafeesudeen Sahabudeen
Qiang Zhang
Yue Liu
Matthias Heuchel
Rainhard Machatschek
author_sort Hafeesudeen Sahabudeen
collection DOAJ
description Abstract 2D metal-organic frameworks (2D-MOFs) materials can be subjected to various modes of mechanical stresses and strains in a wide range of applications, for which their mechanical properties are critical to reach practical implementations. Despite the rapid developments focused on the preparation of ultrathin 2D-MOF materials, very little is known about their mechanical and degradation behavior. Here, we use the established 2D-MOF PdTCPP-Cu (NAFS-13) as model system, to introduce the Langmuir–Blodgett (LB) technique, combined with interfacial rheology, as a novel in situ method for direct determination of the in-plane Young’s modulus by simultaneously measuring the 2D shear and compression moduli of a 2D-MOF formed at the air-water interface. Furthermore, it can be used to evaluate mechanistic models describing the degradation kinetics of 2D MOFs. To provide a deeper understanding of the factors that determine the Young’s modulus observed in such a set up, we carried out nanoindentation measurements and molecular dynamics (MD) simulations based on classical force fields. This protocol allows us to gain mechanistic insights into the impact of structural defects, temperature, tensile and compression stress on the Young’s modulus of 2D MOFs.
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spelling doaj.art-abdcf8fbf06d46bcac750efa565833a02023-04-03T05:28:55ZengNature Portfolionpj 2D Materials and Applications2397-71322023-04-017111010.1038/s41699-023-00391-3Mechanistic insights into the deformation and degradation of a 2D metal organic frameworkHafeesudeen Sahabudeen0Qiang Zhang1Yue Liu2Matthias Heuchel3Rainhard Machatschek4Institute of Active Polymers, Helmholtz-Zentrum HereonInstitute of Active Polymers, Helmholtz-Zentrum HereonInstitute of Active Polymers, Helmholtz-Zentrum HereonInstitute of Active Polymers, Helmholtz-Zentrum HereonInstitute of Active Polymers, Helmholtz-Zentrum HereonAbstract 2D metal-organic frameworks (2D-MOFs) materials can be subjected to various modes of mechanical stresses and strains in a wide range of applications, for which their mechanical properties are critical to reach practical implementations. Despite the rapid developments focused on the preparation of ultrathin 2D-MOF materials, very little is known about their mechanical and degradation behavior. Here, we use the established 2D-MOF PdTCPP-Cu (NAFS-13) as model system, to introduce the Langmuir–Blodgett (LB) technique, combined with interfacial rheology, as a novel in situ method for direct determination of the in-plane Young’s modulus by simultaneously measuring the 2D shear and compression moduli of a 2D-MOF formed at the air-water interface. Furthermore, it can be used to evaluate mechanistic models describing the degradation kinetics of 2D MOFs. To provide a deeper understanding of the factors that determine the Young’s modulus observed in such a set up, we carried out nanoindentation measurements and molecular dynamics (MD) simulations based on classical force fields. This protocol allows us to gain mechanistic insights into the impact of structural defects, temperature, tensile and compression stress on the Young’s modulus of 2D MOFs.https://doi.org/10.1038/s41699-023-00391-3
spellingShingle Hafeesudeen Sahabudeen
Qiang Zhang
Yue Liu
Matthias Heuchel
Rainhard Machatschek
Mechanistic insights into the deformation and degradation of a 2D metal organic framework
npj 2D Materials and Applications
title Mechanistic insights into the deformation and degradation of a 2D metal organic framework
title_full Mechanistic insights into the deformation and degradation of a 2D metal organic framework
title_fullStr Mechanistic insights into the deformation and degradation of a 2D metal organic framework
title_full_unstemmed Mechanistic insights into the deformation and degradation of a 2D metal organic framework
title_short Mechanistic insights into the deformation and degradation of a 2D metal organic framework
title_sort mechanistic insights into the deformation and degradation of a 2d metal organic framework
url https://doi.org/10.1038/s41699-023-00391-3
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