Adsorption of two gas molecules at a single metal site in a metal–organic framework

2016 ◽  
Vol 52 (53) ◽  
pp. 8251-8254 ◽  
Author(s):  
Tomče Runčevski ◽  
Matthew T. Kapelewski ◽  
Rodolfo M. Torres-Gavosto ◽  
Jacob D. Tarver ◽  
Craig M. Brown ◽  
...  
Keyword(s):  
Storage Capacity ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Metal Centers ◽  
Metal Site ◽  
Metal Organic ◽  
Gas Molecules ◽  
Organic Framework

One strategy to markedly increase the gas storage capacity of metal–organic frameworks is to introduce coordinatively-unsaturated metal centers capable of binding multiple gas molecules.

Ultrafast assembly of swordlike Cu3(1,3,5-benzenetricarboxylate)n metal–organic framework crystals with exposed active metal sites

2020 ◽  
Vol 5 (7) ◽  
pp. 1050-1057 ◽  
Author(s):  
Heba Ahmed ◽  
Xinci Yang ◽  
Yemima Ehrnst ◽  
Ninweh N. Jeorje ◽  
Susan Marqus ◽  
...  
Keyword(s):  
Aspect Ratio ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Large Aspect Ratio ◽  
Metal Site ◽  
Site Density ◽  
Active Metal ◽  
Metal Organic ◽  
Enhanced Conductivity ◽  
Organic Framework

A new acoustomicrofluidic method for synthesizing copper-based metal–organic frameworks is shown to yield novel large aspect ratio elongated crystal morphologies with high active metal site density on their surfaces, leading to enhanced conductivity.

Polymorphism/pseudopolymorphism of metal–organic frameworks composed of zinc(ii) and 2-methylimidazole: synthesis, stability, and application in gas storage

RSC Advances ◽  
2016 ◽  
Vol 6 (92) ◽  
pp. 89148-89156 ◽  
Author(s):  
Yang Lo ◽  
Chon Hei Lam ◽  
Chao-Wen Chang ◽  
An-Chih Yang ◽  
Dun-Yen Kang
Keyword(s):  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Potential Applicability ◽  
Metal Organic ◽  
Polymorphic System ◽  
Organic Framework

This paper reports on the synthesis and stability of a polymorphic system of a metal–organic framework (MOF) composed of zinc(ii) and 2-methylimidazole, as well as its potential applicability in gas storage.

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.

Fluorinated metal organic frameworks, MFFIVE-Ni-L (M = Fe/Al, L = pyr), with coordinatively unsaturated metal site for CO2 separation from flue gas in the presence of humidity by computational methods

2021 ◽  
Author(s):  
Athulya S. Palakkal ◽  
Renjith S. Pillai
Keyword(s):  
Computational Methods ◽  
Flue Gas ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
Metal Site ◽  
Humid Condition ◽  
Metal Organic ◽  
Organic Framework

CO2 capture from flue gas compositon (i.e. CO2/N2 = 15/85) under humid condition in coordinatively unsaturated (CUS) square pillared fluorinated metal organic framework (MOF) is computationally investigated with newly derived specific forcerfield.

Metal–Organic Framework HKUST-1 Promotes Methane Hydrate Formation for Improved Gas Storage Capacity

2020 ◽  
Vol 12 (47) ◽  
pp. 53510-53518
Author(s):  
Shurraya Denning ◽  
Ahmad AA Majid ◽  
Jolie M. Lucero ◽  
James M. Crawford ◽  
Moises A. Carreon ◽  
...  
Keyword(s):  
Methane Hydrate ◽  
Storage Capacity ◽  
Metal Organic Framework ◽  
Hydrate Formation ◽  
Gas Storage ◽  
Metal Organic ◽  
Organic Framework

Bifunctional PGM-free metal organic framework-based electrocatalysts for alkaline electrolyzers: trends in the activity with different metal centers

Nanoscale ◽  
2021 ◽  
Author(s):  
Wenjamin Moschkowitsch ◽  
Shmuel Gonen ◽  
Kapil Dhaka ◽  
Noam Zion ◽  
Hilah Honig ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Electrocatalytic Activity ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Metal Centers ◽  
Metal Organic ◽  
Free Metal ◽  
Organic Framework

Several composites of metal organic frameworks with electrocatalytic activity toward OER and HER were studied. A trend of the activity among the different metals was observed for both reactions and was confirmed by DFT calculations.

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>

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 Crystal growth of the core and rotated epitaxial shell of a heterometallic metal-organic framework revealed with atomic force microscopy

2021 ◽  
Author(s):  
Fajar Inggit Pambudi ◽  
Michael William Anderson ◽  
Martin Attfield
Keyword(s):  
Atomic Force Microscopy ◽  
Crystal Growth ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Force Microscopy ◽  
The Core ◽  
Atomic Force ◽  
Metal Organic ◽  
Surface Crystal ◽  
Organic Framework

Atomic force microscopy has been used to determine the surface crystal growth of two isostructural metal-organic frameworks, [Zn2(ndc)2(dabco)] (ndc = 1,4-naphthalene dicarboxylate, dabco = 4-diazabicyclo[2.2.2]octane) (1) and [Cu2(ndc)2(dabco)] (2) from...

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