scholarly journals SARS-CoV-2 Inactivation Potential of Metal Organic Framework Induced Photocatalysis

2020 ◽  
Author(s):  
Jason Ornstein ◽  
Ray O.K. Ozdemir ◽  
Anne Boehme ◽  
Farid Nouar ◽  
Christian Serre ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Ultra Violet ◽  
Transportation Systems ◽  
Alternative Methods ◽  
The World ◽  
Metal Organic ◽  
The Difference ◽  
Indoor Spaces

AbstractAs the world recovers from the lockdown imposed by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) pandemic, returning to shared indoor spaces is considered a formidable risk. It is now clear that transmission of SARS-CoV-2 is driven by respiratory microdroplets expelled by infected persons, which can become suspended in the air. Several layering technologies are being explored to mitigate indoor transmission in the hopes of re-opening business, schools and transportation systems. Here we coupled the water adsorptive and photocatalytic capacity of novel Metal Organic Frameworks (MOFs) to demonstrate the capture and inactivation of SARS-CoV-2. Discussion is given on the methods of analysis and the differences between the photocatalytic activity of several MOFs, and the difference between MOF induced photocatalysis and ultra violet photolysis of SARS-CoV-2. Our results are intended to provide support to industry looking for alternative methods secure indoor spaces.

scholarly journals Mesoporous Cu–Cu2O@TiO2 heterojunction photocatalysts derived from metal–organic frameworks

RSC Advances ◽  
2020 ◽  
Vol 10 (25) ◽  
pp. 14550-14555 ◽  
Author(s):  
Wenling Zhao ◽  
Chengcheng Liu
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Visible Light Irradiation ◽  
Dye Degradation ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
High Photocatalytic Activity ◽  
Light Irradiation ◽  
Metal Organic ◽  
Organic Framework

Cu–Cu2O@TiO2 heterojunction photocatalyst derived from a metal–organic framework shows high photocatalytic activity for dye degradation under visible light irradiation.

scholarly journals Band gap modulation in zirconium-based metal–organic frameworks by defect engineering

2019 ◽  
Vol 7 (41) ◽  
pp. 23781-23786 ◽  
Author(s):  
Marco Taddei ◽  
Giulia M. Schukraft ◽  
Michael E. A. Warwick ◽  
Davide Tiana ◽  
Matthew J. McPherson ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Gap ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Defect Engineering ◽  
Engineering Approach ◽  
Metal Organic ◽  
Engineered Materials ◽  
Band Gap Modulation ◽  
Organic Framework

A simple defect engineering approach to systematically tune the band gap of the prototypical zirconium-based metal–organic framework UiO-66 is reported. Defect engineered materials display enhanced photocatalytic activity.

scholarly journals Strain Engineering for Tuning the Photocatalytic Activity of Metal-Organic Frameworks-Theoretical Study of the UiO-66 Case

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 264
Author(s):  
Marija Stojković ◽  
Igor A. Pašti
Keyword(s):  
Photocatalytic Activity ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Mechanical Strain ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Strain Engineering ◽  
Metal Centers ◽  
Metal Organic ◽  
Photocatalytic Processes

In recent years, the class of metal-organic framework (MOF) materials emerged. These materials’ unique properties can be ascribed to their structure, containing inorganic nodes connected with organic linkers. Due to their porosity and flexibility, MOFs have become suitable for various energy-related applications, including gas storage, hydrogen production and heterogeneous catalysis, and photocatalysis. Using DFT+U calculations, we show that the substitution of metal centers in inorganic nodes and the strain engineering of UiO-66 alters the electronic and optical properties of this material. We show that applying mechanical strain on UiO-66 enables the control of absorption coefficient in the UV-Vis spectrum and the photocatalytic processes’ selectivity when reactants for several photocatalytic processes are present. The presented findings could lead to general strategies for designing novel MOFs for sustainable energy conversion applications.

scholarly journals Strain Engineering for Tuning the Photocatalytic Activity of Metal-Organic Frameworks – Theoretical Study of the UiO-66 Case

2021 ◽  
Author(s):  
Marija Stojković ◽  
Igor A. Pašti
Keyword(s):  
Photocatalytic Activity ◽  
Theoretical Study ◽  
Metal Organic Framework ◽  
Mechanical Strain ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Strain Engineering ◽  
Metal Centers ◽  
Metal Organic ◽  
Photocatalytic Processes

In recent years, the class of metal-organic framework (MOF) materials emerged. These materials' unique properties can be assigned to their structure, containing inorganic nodes connected with organic linkers. Due to their porosity and flexibility, MOFs have become suitable for various energy-related applications, including gas storage, hydrogen production and heterogeneous catalysis, and photocatalysis. Using DFT+U calculations, we show that the substitution of metal centers in inorganic nodes and the strain engineering of UiO-66 alters the electronic and optical properties of this material. We show that applying mechanical strain on UiO-66 enables the control of absorption coefficient in the UV-Vis spectrum and the photocatalytic processes' selectivity when reactants for several photocatalytic processes are present. The presented findings could lead to general strategies for designing novel MOFs for sustainable energy conversion applications.

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

2020 ◽  
Author(s):  
Jesse Park ◽  
Brianna Collins ◽  
Lucy Darago ◽  
Tomce Runcevski ◽  
Michael Aubrey ◽  
...  
Keyword(s):  
Charge Transport ◽  
Magnetic Order ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Magnetic Ordering ◽  
Double Exchange ◽  
Itinerant Ferromagnetism ◽  
Organic Solids ◽  
Metal Organic ◽  
Organic Framework

<b>Materials that combine magnetic order with other desirable physical attributes offer to revolutionize our energy landscape. Indeed, such materials could find transformative applications in spintronics, quantum sensing, low-density magnets, and gas separations. As a result, efforts to design multifunctional magnetic materials have recently moved beyond traditional solid-state materials to metal–organic solids. Among these, metal–organic frameworks in particular bear structures that offer intrinsic porosity, vast chemical and structural programmability, and tunability of electronic properties. Nevertheless, magnetic order within metal–organic frameworks has generally been limited to low temperatures, owing largely to challenges in creating strong magnetic exchange in extended metal–organic solids. Here, we employ the phenomenon of itinerant ferromagnetism to realize magnetic ordering at <i>T</i><sub>C</sub> = 225 K in a mixed-valence chromium(II/III) triazolate compound, representing the highest ferromagnetic ordering temperature yet observed in a metal–organic framework. The itinerant ferromagnetism is shown to proceed via a double-exchange mechanism, the first such observation in any metal–organic material. Critically, this mechanism results in variable-temperature conductivity with barrierless charge transport below <i>T</i><sub>C</sub> and a large negative magnetoresistance of 23% at 5 K. These observations suggest applications for double-exchange-based coordination solids in the emergent fields of magnetoelectrics and spintronics. Taken together, the insights gleaned from these results are expected to provide a blueprint for the design and synthesis of porous materials with synergistic high-temperature magnetic and charge transport properties. </b>

Engineering Porosity Through Defects in a Giant Pore Metal–Organic Framework

2020 ◽  
Author(s):  
Adam Sapnik ◽  
Duncan Johnstone ◽  
Sean M. Collins ◽  
Giorgio Divitini ◽  
Alice Bumstead ◽  
...  
Keyword(s):  
Distribution Function ◽  
Ball Milling ◽  
Local Structure ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Defect Engineering ◽  
Metal Organic ◽  
Unsaturated Metal Sites

<p>Defect engineering is a powerful tool that can be used to tailor the properties of metal–organic frameworks (MOFs). Here, we incorporate defects through ball milling to systematically vary the porosity of the giant pore MOF, MIL-100 (Fe). We show that milling leads to the breaking of metal–linker bonds, generating more coordinatively unsaturated metal sites, and ultimately causes amorphisation. Pair distribution function analysis shows the hierarchical local structure is partially</p><p>retained, even in the amorphised material. We find that the solvent toluene stabilises the MIL-100 (Fe) framework against collapse and leads to a substantial rentention of porosity over the non-stabilised material.</p>

Metal-Organic Frameworks vs. Buffers: Case Study of UiO-66 Stability

2020 ◽  
Author(s):  
Daniel Bůžek ◽  
Slavomír Adamec ◽  
Kamil Lang ◽  
Jan Demel
Keyword(s):  
Inductively Coupled Plasma ◽  
Buffer Capacity ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Analytical Techniques ◽  
Aqueous Dispersions ◽  
Inductively Coupled ◽  
Plasma Mass Spectrometry ◽  
Metal Organic

<div><p>UiO-66 is a zirconium-based metal-organic framework (MOF) that has numerous applications. Our group recently determined that UiO-66 is not as inert in aqueous dispersions as previously reported in the literature. The present work therefore assessed the behaviour of UiO-66 in buffers: 2-amino-2-(hydroxymethyl)-1,3-propanediol (TRIS), 4-(2-hydroxyethyl)piperazine-1-ethane sulfonic acid (HEPES), N-ethylmorpholine (NEM) and phosphate buffer (PB), all of which are commonly used in many UiO-66 applications. High pressure liquid chromatography and inductively coupled plasma mass spectrometry were used to monitor degradation of the MOF. In each buffer, the terephthalate linker was released to some extent, with a more pronounced leaching effect in the saline forms of these buffers. The HEPES buffer was found to be the most benign, whereas NEM and PB should be avoided at any concentration as they were shown to rapidly degrade the UiO-66 framework. Low concentration TRIS buffers are also recommended, although these offer minimal buffer capacity to adjust pH. Regardless of the buffer used, rapid terephthalate release was observed, indicating that the UiO-66 was attacked immediately after mixing with the buffer. In addition, the dissolution of zirconium, observed in some cases, intensified the UiO-66 decomposition process. These results demonstrate that sensitive analytical techniques have to be used to monitor the release of MOF components so as to quantify the stabilities of these materials in liquid environments.</p></div>

An Overview of Metal-organic Frameworks-based Acid/Base Catalysts for Biofuel Synthesis

2020 ◽  
Vol 24 (16) ◽  
pp. 1876-1891
Author(s):  
Qiuyun Zhang ◽  
Yutao Zhang ◽  
Jingsong Cheng ◽  
Hu Li ◽  
Peihua Ma
Keyword(s):  
Alternative Fuels ◽  
Heterogeneous Catalysts ◽  
Supported Catalysts ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Flexible Structures ◽  
Biodiesel Production ◽  
Biodiesel Synthesis ◽  
Metal Organic ◽  
Organic Framework

Biofuel synthesis is of great significance for producing alternative fuels. Among the developed catalytic materials, the metal-organic framework-based hybrids used as acidic, basic, or supported catalysts play major roles in the biodiesel production. This paper presents a timely and comprehensive review of recent developments on the design and preparation of metal-organic frameworks-based catalysts used for biodiesel synthesis from various oil feedstocks, including MILs-based catalysts, ZIFs-based catalysts, UiO-based catalysts, Cu-BTC-based catalysts, and MOFs-derived porous catalysts. Due to their unique and flexible structures, excellent thermal and hydrothermal stability, and tunable host-guest interactions, as compared with other heterogeneous catalysts, metal-organic framework-based catalysts have good opportunities for application in the production of biodiesel at industrial scale.

scholarly journals Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4230
Author(s):  
Andreas Windischbacher ◽  
Luca Steiner ◽  
Ritesh Haldar ◽  
Christof Wöll ◽  
Egbert Zojer ◽  
...  
Keyword(s):  
Conformational Changes ◽  
Photophysical Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Red Shift ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Exciton Coupling ◽  
Metal Organic ◽  
Crystalline Metal

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

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