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Crystals
Special Issues
Metal-Organic Frameworks
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Metal-Organic Frameworks

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Hybrid and Composite Crystalline Materials".

Deadline for manuscript submissions: closed (15 October 2021) | Viewed by 18240

Special Issue Editors

Prof. Dr. Changyong Yim

E-Mail Website
Guest Editor
Department of Energy Chemical Engineering, School of Nano & Materials Science and Engineering, Kyungpook National University (KNU), Sangju, Republic of Korea
Interests: metal–organic frameworks; gas sensors; intensive pulsed light technique; quartz crystal microbalance
Dr. Guan-Young Jeong

E-Mail Website
Guest Editor
Environmental & Energy Research Group, Research Institute of Industrial Science & Technology (RIST), Pohang, Republic of Korea
Interests: metal–organic frameworks; heterogeneous catalysts; material adsorption and separation; biological encapsulation

Special Issue Information

Dear Colleagues,

It is our great pleasure to invite you to submit a manuscript to the Special Issue “Metal–Organic Frameworks”, which will be published in the journal Crystals.

Metal–organic frameworks (MOFs) have attracted much attention in the field of gas storage/separation, catalysts, energy storage, and chemical sensors due to their highly porous structures, various metal coordination numbers, and even their electrical conducting properties. Generally, MOF structures can be synthesized using hydro- or solvo-thermal methods with an autoclave reactor. For the precise control of synthesis, layer-by-layer (LBL) and microfluidic-based methods are used. In gas storage/separation, for example, MOFs are able to store hydrogen and separate carbon monoxide from carbon dioxide. In the case of catalysts, this field has been developed by various technologies and novel demonstrations of catalytic properties associated with the crystalline structures of MOFs. By combining with mechanical resonators, such as quartz crystal microbalance (QCM), microcantilevers, and quartz tuning forks (QTFs), MOFs can be used as sensing materials for chemical- and bio-sensors. In addition, the electric conductivity of MOFs enables application in the field of energy storage.

This Special Issue will focus mainly on the following topics:

(1) New synthesis techniques for the synthesis and/or fabrication of MOFs or MOF@composite materials;

(2) Demonstration of gas storage/separation with enhanced properties;

(3) New catalysts via MOFs and/or MOF@composite materials;

(4) Demonstration of new applications of chemical- and bio-sensors via MOF or MOF@composite systems;

(5) Energy storage system via MOFs with enhanced properties.

For this Special Issue, we would like to receive manuscripts on MOFs synthesis, gas storage/separation, catalysts, sensors, and energy storage. If the articles are related to MOFs, we also welcome review articles and manuscripts not mentioned in the topics above.

Prof. Dr. Changyong Yim
Dr. Guan-Young Jeong
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. Crystals is an international peer-reviewed open access monthly 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 2600 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

  • MOFs synthesis
  • Gas storage/separation using MOFs
  • MOFs catalysts
  • MOFs-based gas-, chemical-, and bio-sensors
  • Energy-storage related MOF structures

Published Papers (4 papers)

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Research

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10 pages, 3007 KiB  
Article
First-Principles Study of Structure and Magnetism in Copper(II)-Containing Hybrid Perovskites
by João N. Gonçalves, Anthony E. Phillips, Wei Li and Alessandro Stroppa
Crystals 2020, 10(12), 1129; https://doi.org/10.3390/cryst10121129 - 11 Dec 2020
Cited by 1 | Viewed by 2009
Abstract
We report a first-principles study of hybrid organic–inorganic perovskites with formula [A]Cu(H2POO)3 (A = triazolium (Trz) and guanidinium (Gua), and H2POO− = hypophosphite), and [HIm]Cu(HCO2)3 (HIm = imidazolium cation, HCO2− = formate). [...] Read more.
We report a first-principles study of hybrid organic–inorganic perovskites with formula [A]Cu(H2POO)3 (A = triazolium (Trz) and guanidinium (Gua), and H2POO− = hypophosphite), and [HIm]Cu(HCO2)3 (HIm = imidazolium cation, HCO2− = formate). The triazolium hypophosphite and the formate have been suggested as possible ferroelectrics. We study the fully relaxed structures with different magnetic orderings and possible phonon instabilities. For the [Trz]Cu hypophosphite, the Trz cation is shown to induce large octahedral distortions due to the Jahn-Teller effect, with Cu-O long-bond ordering along two perpendicular directions, which is correlated with antiferromagnetic ordering and strongly one-dimensional. We find that the structure is dynamically stable with respect to zone-center distortions, but instabilities appear along high symmetry lines in the Brillouin zone. On the other hand, for the [HIm]Cu formate, large octahedral distortions are found, with large Cu-O bonds present in half of the octahedra, in this case along a single direction, and correspondingly, the magnetism is almost two-dimensional. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks)
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15 pages, 3313 KiB  
Article
Quantitative Structure–Property Relationships from Experiments for CH4 Storage and Delivery by Metal–Organic Frameworks
by Eyas Mahmoud
Crystals 2020, 10(8), 700; https://doi.org/10.3390/cryst10080700 - 13 Aug 2020
Cited by 3 | Viewed by 2677
Abstract
Quantitative structure–property relationships (QSPRs) can be applied to metal–organic frameworks (MOFs) to allow for reasonable estimates to be made of the CH4 storage performance. QSPRs are available for CH4 storage of MOFs, but these were obtained from Grand Canonical Monte Carlo [...] Read more.
Quantitative structure–property relationships (QSPRs) can be applied to metal–organic frameworks (MOFs) to allow for reasonable estimates to be made of the CH4 storage performance. QSPRs are available for CH4 storage of MOFs, but these were obtained from Grand Canonical Monte Carlo (GCMC) simulations which have come under scrutiny and of which the accuracy has been questioned. Here, QSPRs were developed from experimental data and insights are provided on how to improve storage and deliverable CH4 storage capacity based on material properties. Physical properties of MOFs, such as density, pore volume, and largest cavity diameter (LCD), and their significance for CH4 storage capacity were assessed. One relationship that was found is that CH4 gravimetric storage capacity is directly proportional to Brunauer–Emmett–Teller (BET) surface area (r2 > 90%). The QSPRs demonstrated the effect of van der Waals forces involved in CH4 adsorption. An assessment was made of the accuracy of QSPRs made by GCMC as compared to QSPRs derived from experimental data. Guidelines are provided for optimal design of MOFs, including density and pore volume. With the recent achievement of the gravimetric 2012 DOE CH4 storage target, the QSPRs presented here may allow for the prediction of structural descriptors for CH4 storage capacity and delivery. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks)
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Review

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20 pages, 3350 KiB  
Review
Synthesis of Metal Organic Frameworks by Ball-Milling
by Cheng-An Tao and Jian-Fang Wang
Crystals 2021, 11(1), 15; https://doi.org/10.3390/cryst11010015 - 27 Dec 2020
Cited by 38 | Viewed by 8480
Abstract
Metal-organic frameworks (MOFs) have been used in adsorption, separation, catalysis, sensing, photo/electro/magnetics, and biomedical fields because of their unique periodic pore structure and excellent properties and have become a hot research topic in recent years. Ball milling is a method of small pollution, [...] Read more.
Metal-organic frameworks (MOFs) have been used in adsorption, separation, catalysis, sensing, photo/electro/magnetics, and biomedical fields because of their unique periodic pore structure and excellent properties and have become a hot research topic in recent years. Ball milling is a method of small pollution, short time-consumption, and large-scale synthesis of MOFs. In recent years, many important advances have been made. In this paper, the influencing factors of MOFs synthesized by grinding were reviewed systematically from four aspects: auxiliary additives, metal sources, organic linkers, and reaction specific conditions (such as frequency, reaction time, and mass ratio of ball and raw materials). The prospect for the future development of the synthesis of MOFs by grinding was proposed. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks)
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16 pages, 1859 KiB  
Review
Gallate-Based Metal–Organic Frameworks, a New Family of Hybrid Materials and Their Applications: A Review
by Marhaina Ismail, Mohamad Azmi Bustam and Yin Fong Yeong
Crystals 2020, 10(11), 1006; https://doi.org/10.3390/cryst10111006 - 5 Nov 2020
Cited by 13 | Viewed by 4457
Abstract
Within three decades of fundamental findings in research on metal–organic frameworks (MOFs), a new family of hybrid materials known as gallate-based MOFs, consisting of metal salt and gallic acid, have been of great interest. Due to the fact that gallic acid is acknowledged [...] Read more.
Within three decades of fundamental findings in research on metal–organic frameworks (MOFs), a new family of hybrid materials known as gallate-based MOFs, consisting of metal salt and gallic acid, have been of great interest. Due to the fact that gallic acid is acknowledged to display a range of bioactivities, gallate-based MOFs have been initially expended in biomedical applications. Recently, gallate-based MOFs have been gradually acting as new alternative materials in chemical industrial applications, in which they were first reported for the adsorptive separation of light hydrocarbon separations. However, to date, none of them have been related to CO2/CH4 separation. These porous materials have a bright future and can be kept in development for variety of applications in order to be applied in real industrial practices. Therefore, this circumstance creates a new opportunity to concentrate more on studies in CO2/CH4 applications by using porous material gallate-based MOFs. This review includes the description of recent gallate-based MOFs that presented remarkable properties in biomedical areas and gas adsorption and separation, as well as their future potential application. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks)
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