Inquiry for the multifunctional design of metal–organic frameworks: in situ equipping additional open metal sites (OMSs) inducing high CO2 capture/conversion abilities

2021 ◽  
Author(s):  
Mingwei Jia ◽  
Jiantang Li ◽  
Jiaming Gu ◽  
Lirong Zhang ◽  
Yunling Liu
Keyword(s):  
Co2 Capture ◽  
Metal Organic Frameworks ◽  
High Co2 ◽  
Synergistic Catalysis ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Multifunctional Design

On the basis of in situ fabricating multifunctional MOFs, a binuclear Co-MOF with open cobalt sites was accomplished. The multifunctional sites afforded increased CO2 uptake, together with the synergistic catalysis in promoting the CO2 conversion.

In situ synthesis of carbon nanotube doped metal–organic frameworks for CO2 capture

RSC Advances ◽  
2016 ◽  
Vol 6 (6) ◽  
pp. 4382-4386 ◽  
Author(s):  
Nousheen Iqbal ◽  
Xianfeng Wang ◽  
Jianyong Yu ◽  
Naila Jabeen ◽  
Hameed Ullah ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Carbon Nanotube ◽  
Co2 Capture ◽  
Metal Organic Frameworks ◽  
In Situ Synthesis ◽  
Structural Motifs ◽  
Metal Organic

Metal organic–frameworks (MOFs) with intriguing structural motifs and unique properties are potential candidates for carbon dioxide (CO2) storage.

The multifunctional design of metal-organic framework by applying linker desymmetrization strategy: synergistic catalysis for high CO2-epoxides conversion

2021 ◽  
Author(s):  
Yueying Zhu ◽  
Jiaming Gu ◽  
Xueyue Yu ◽  
Borong Zhang ◽  
Guanghua Li ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Solvothermal Reaction ◽  
Tetracarboxylic Acid ◽  
Copper Metal ◽  
High Co2 ◽  
Synergistic Catalysis ◽  
Metal Organic ◽  
Organic Framework ◽  
Multifunctional Design

Herein, a novel copper metal-organic framework (Cu-MOF), [Cu2(CPTPTA)(H2O)]·CH3NH3+·4H2O·7NMF (1) (H5CPTPTA = 5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid, NMF = N-methylformamide), has been successfully synthesized via solvothermal reaction. By applying linker desymmetrization strategy, compound 1...

scholarly journals Probing the mechanism of CO2 capture in diamine-appended metal–organic frameworks using measured and simulated X-ray spectroscopy

2015 ◽  
Vol 17 (33) ◽  
pp. 21448-21457 ◽  
Author(s):  
Walter S. Drisdell ◽  
Roberta Poloni ◽  
Thomas M. McDonald ◽  
Tod A. Pascal ◽  
Liwen F. Wan ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Co2 Capture ◽  
Metal Organic Frameworks ◽  
The Novel ◽  
X Ray ◽  
Metal Organic ◽  
X Ray Absorption

In situ X-ray absorption spectroscopy, coupled with DFT calculations, uncovers the details of the novel mechanism for CO2 adsorption in diamine-appended metal–organic frameworks.

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O2 Binding

2019 ◽  
Author(s):  
Andrew Rosen ◽  
M. Rasel Mian ◽  
Timur Islamoglu ◽  
Haoyuan Chen ◽  
Omar Farha ◽  
...  
Keyword(s):  
Density Functional ◽  
Metal Organic Frameworks ◽  
Redox Activity ◽  
Screening Methods ◽  
Bridging Ligands ◽  
Metal Centers ◽  
Computational Screening ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Unsaturated Metal Sites

<p>Metal−organic frameworks (MOFs) with coordinatively unsaturated metal sites are appealing as adsorbent materials due to their tunable functionality and ability to selectively bind small molecules. Through the use of computational screening methods based on periodic density functional theory, we investigate O<sub>2</sub> and N<sub>2</sub> adsorption at the coordinatively unsaturated metal sites of several MOF families. A variety of design handles are identified that can be used to modify the redox activity of the metal centers, including changing the functionalization of the linkers (replacing oxido donors with sulfido donors), anion exchange of bridging ligands (considering μ-Br<sup>-</sup>, μ-Cl<sup>-</sup>, μ-F<sup>-</sup>, μ-SH<sup>-</sup>, or μ-OH<sup>-</sup> groups), and altering the formal oxidation state of the metal. As a result, we show that it is possible to tune the O<sub>2</sub> affinity at the open metal sites of MOFs for applications involving the strong and/or selective binding of O<sub>2</sub>. In contrast with O<sub>2</sub> adsorption, N<sub>2</sub> adsorption at open metal sites is predicted to be relatively weak across the MOF dataset, with the exception of MOFs containing synthetically elusive V<sup>2+</sup> open metal sites. As one example from the screening study, we predict that exchanging the μ-Cl<sup>-</sup> ligands of M<sub>2</sub>Cl<sub>2</sub>(BBTA) (H<sub>2</sub>BBTA = 1<i>H</i>,5<i>H</i>-benzo(1,2-d:4,5-d′)bistriazole) with μ-OH<sup>-</sup> groups would significantly enhance the strength of O<sub>2</sub> adsorption at the open metal sites without a corresponding increase in the N<sub>2</sub> affinity. Experimental investigation of Co<sub>2</sub>Cl<sub>2</sub>(BBTA) and Co<sub>2</sub>(OH)<sub>2</sub>(BBTA) confirms that the former exhibits only weak physisorption, whereas the latter is capable of chemisorbing O<sub>2</sub> at room temperature. The chemisorption behavior is attributed to the greater electron-donating character of the μ-OH<sup>-</sup><sub> </sub>ligands and the presence of H-bonding interactions between the μ-OH<sup>-</sup> bridging ligands and the O<sub>2</sub> adsorbate.</p>

CO2 capture enhancement in MOFs via the confinement of molecules

2021 ◽  
Author(s):  
Ilich A. Ibarra ◽  
Eduardo González-Zamora ◽  
Alejandro Islas-Jácome ◽  
Alfredo López-Olvera ◽  
Vanessa del C. Cotlame-Salinas
Keyword(s):  
Co2 Capture ◽  
Greenhouse Effect ◽  
Metal Organic Frameworks ◽  
Pore Shape ◽  
Metal Organic

Metal-organic frameworks (MOFs) have become the most promising molecular sponges to capture gases from the greenhouse effect, e.g. CO2, due to various desirable features such as tuneable pore shape, size...

scholarly journals In situ X‐ray Diffraction Investigation of the Crystallisation of Perfluorinated Ce(IV)‐based Metal‐Organic Frameworks with UiO‐66 and MIL‐140 architectures

2021 ◽  
Author(s):  
Stephen J. I. Shearan ◽  
Jannick Jacobsen ◽  
Ferdinando Costantino ◽  
Roberto D’Amato ◽  
Dmitri Novikov ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metal Organic
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