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Thermo-Mechanical Properties of Metal Organic Frameworks

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A special issue of Nanomaterials (ISSN 2079-4991).

Deadline for manuscript submissions: closed (12 November 2018) | Viewed by 25453

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Special Issue Editors

Dr. Pascal G. Yot

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Guest Editor

Institut Charles Gerhardt Montpellier, Montpellier, France
Interests: metal organic frameworks; diffractions techniques; structure determination; structure-properties relations; mechanical and thermal behaviour; boron based materials
Special Issues, Collections and Topics in MDPI journals

Prof. Dr. Guillaume Maurin

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Guest Editor

Institut Charles Gerhardt Montpellier, Montpellier, France
Interests: metal organic frameworks; thermodynamic; mechanical and thermal behaviour; gas adsorption and diffusion modelling; structure prediction

Special Issue Information

Dear Colleagues,

Metal-organic frameworks (MOF) have experienced twenty years of interest from various fields, owing to their chemical and structural versatility, which confers a unique opportunity to tune their features for targeted applications. In particular, their promising thermo-mechanical properties pave the way for a series of energy- and environmentally-related applications. The growing developments in these two fields have motivated us to launch this Special Issue on "Thermo-Mechanical Properties of Metal Organic Frameworks" in Nanomaterials. We expect that it will offer the MOF community an opportunity to expose and review the latest and most significant achievements in these two domains, using both experimental and modelling techniques.

As an expert in this field, we are very pleased to invite you to submit original papers, communications, and reviews for this Special Issue. Thank you for your time and consideration, we look forward to hearing from you.

Dr. Pascal G. Yot
Prof. Dr. Guillaume Maurin
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

Metal Organic Frameworks
Thermo-Mechanical properties
Structure-property relations
Phase transitions
Modelling
Applications

Published Papers (4 papers)

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Research

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22 pages, 5162 KiB

Open AccessArticle

Influence of Thermal and Mechanical Stimuli on the Behavior of Al-CAU-13 Metal–Organic Framework

by Michael T. Wharmby, Felicitas Niekiel, Jannik Benecke, Steve Waitschat, Helge Reinsch, Dominik Daisenberger, Norbert Stock and Pascal G. Yot

Nanomaterials 2020, 10(9), 1698; https://doi.org/10.3390/nano10091698 - 28 Aug 2020

Cited by 2 | Viewed by 2770

Abstract

The response of the metal–organic framework aluminum-1,4-cyclohexanedicarboxylate or Al-CAU-13 (CAU: Christian Albrecht University) to the application of thermal and mechanical stimuli was investigated using synchrotron powder X-ray diffraction (SPXRD). Variable temperature in situ SPXRD data, over the range 80–500 K, revealed a complex evolution of the structure of the water guest containing Al-CAU-13•H₂O, the dehydration process from ca. 310 to 370 K, and also the evolution of the guest free Al-CAU-13 structure between ca. 370 and 500 K. Rietveld refinement allowed this complexity to be rationalized in the different regions of heating. The Berman thermal Equation of State was determined for the two structures (Al-CAU-13•H₂O and Al-CAU-13). Diamond anvil cell studies at elevated pressure (from ambient to up to ca. 11 GPa) revealed similarities in the structural responses on application of pressure and temperature. The ability of the pressure medium to penetrate the framework was also found to be important: non-penetrating silicone oil caused pressure induced amorphization, whereas penetrating helium showed no plastic deformation of the structure. Third-order Vinet equations of state were calculated and show Al-CAU-13•H₂O is a hard compound for a metal–organic framework material. The mechanical response of Al-CAU-13, with tetramethylpyrazine guests replacing water, was also investigated. Although the connectivity of the structure is the same, all the linkers have a linear e,e-conformation and the structure adopts a more open, wine-rack-like arrangement, which demonstrates negative linear compressibility (NLC) similar to Al-MIL-53 and a significantly softer mechanical response. The origin of this variation in behavior is attributed to the different linker conformation, demonstrating the influence of the S-shaped a,a-conformation on the response of the framework to external stimuli. Full article

(This article belongs to the Special Issue Thermo-Mechanical Properties of Metal Organic Frameworks)

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10 pages, 4602 KiB

Open AccessArticle

Thermal and Guest-Assisted Structural Transition in the NH₂-MIL-53(Al) Metal Organic Framework: A Molecular Dynamics Simulation Investigation

by Roald Boulé, Claire Roland, Laurent Le Pollés, Nathalie Audebrand and Aziz Ghoufi

Nanomaterials 2018, 8(7), 531; https://doi.org/10.3390/nano8070531 - 14 Jul 2018

Cited by 4 | Viewed by 6380

Abstract

Reversible structural transition between the Large (LP) and Narrow Pore (NP) forms (breathing phenomena) of the MIL-53(X, X = Al, Cr, Fe, Ga) Metal Organic Framework (MOF) is probably one of the most amazing physical properties of this class of soft-porous materials. Whereas great attention has been paid to the elucidation of the physical mechanism ruling this reversible transition, the effect of the functionalization on the flexibility has been less explored. Among functionalized MIL-53(Al) materials, the case of NH

_{2}

-MIL-53(Al) is undoubtedly a very intriguing structural transition rarely observed, and the steadier phase corresponds to the narrow pore form. In this work, the flexibility of the NH

_{2}

-MIL-53(Al) metal organic framework was investigated by means of molecular dynamics simulations. Guest (methanol) and thermal breathing of the NH

_{2}

-MIL-53(Al) was thus explored. We show that it is possible to trigger a reversible transition between NP and LP forms upon adsorption, and we highlight the existence of stable intermediate forms and a very large pore phase. Furthermore, the NP form is found thermodynamically stable from 240 to 400 K, which is the result of strong intramolecular hydrogen bonds. Full article

(This article belongs to the Special Issue Thermo-Mechanical Properties of Metal Organic Frameworks)

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Review

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36 pages, 10577 KiB

Open AccessReview

Rotational Dynamics of Linkers in Metal–Organic Frameworks

by Adrian Gonzalez-Nelson, François-Xavier Coudert and Monique A. van der Veen

Nanomaterials 2019, 9(3), 330; https://doi.org/10.3390/nano9030330 - 02 Mar 2019

Cited by 81 | Viewed by 9984

Abstract

Among the numerous fascinating properties of metal–organic frameworks (MOFs), their rotational dynamics is perhaps one of the most intriguing, with clear consequences for adsorption and separation of molecules, as well as for optical and mechanical properties. A closer look at the rotational mobility in MOF linkers reveals that it is not only a considerably widespread phenomenon, but also a fairly diverse one. Still, the impact of these dynamics is often understated. In this review, we address the various mechanisms of linker rotation reported in the growing collection of literature, followed by a highlight of the methods currently used in their study, and we conclude with the impacts that such dynamics have on existing and future applications. Full article

(This article belongs to the Special Issue Thermo-Mechanical Properties of Metal Organic Frameworks)

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Graphical abstract

25 pages, 6037 KiB

Open AccessReview

Tunable Metal–Organic Frameworks for Heat Transformation Applications

by Somboon Chaemchuen, Xuan Xiao, Nikom Klomkliang, Mekhman S. Yusubov and Francis Verpoort

Nanomaterials 2018, 8(9), 661; https://doi.org/10.3390/nano8090661 - 26 Aug 2018

Cited by 34 | Viewed by 5734

Abstract

Metal–Organic Frameworks (MOFs) are a subclass of porous materials that have unique properties, such as varieties of structures from different metals and organic linkers and tunable porosity from a structure or framework design. Moreover, modification/functionalization of the material structure could optimize the material properties and demonstrate high potential for a selected application. MOF materials exhibit exceptional properties that make these materials widely applicable in energy storage and heat transformation applications. This review aims to give a broad overview of MOFs and their development as adsorbent materials with potential for heat transformation applications. We have briefly overviewed current explorations, developments, and the potential of metal–organic frameworks (MOFs), especially the tuning of the porosity and the hydrophobic/hydrophilic design required for this specific application. These materials applied as adsorbents are promising in thermal-driven adsorption for heat transformation using water as a working fluid and related applications. Full article

(This article belongs to the Special Issue Thermo-Mechanical Properties of Metal Organic Frameworks)

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