High-Capacity Methane Storage in Metal−Organic Frameworks M2(dhtp): The Important Role of Open Metal Sites

2009 ◽  
Vol 131 (13) ◽  
pp. 4995-5000 ◽  
Author(s):  
Hui Wu ◽  
Wei Zhou ◽  
Taner Yildirim
Keyword(s):  
Metal Organic Frameworks ◽  
High Capacity ◽  
Methane Storage ◽  
Open Metal Sites ◽  
Metal Organic

Adsorption of nitric oxide in metal-organic frameworks: Low temperature IR and EPR spectroscopic evaluation of the role of open metal sites

2015 ◽  
Vol 216 ◽  
pp. 97-110 ◽  
Author(s):  
Benjamin Barth ◽  
Matthias Mendt ◽  
Andreas Pöppl ◽  
Martin Hartmann
Keyword(s):  
Nitric Oxide ◽  
Low Temperature ◽  
Metal Organic Frameworks ◽  
Open Metal Sites ◽  
Metal Organic

Porous metal–organic frameworks with Lewis basic nitrogen sites for high-capacity methane storage

2015 ◽  
Vol 8 (8) ◽  
pp. 2504-2511 ◽  
Author(s):  
Bin Li ◽  
Hui-Min Wen ◽  
Hailong Wang ◽  
Hui Wu ◽  
Taner Yildirim ◽  
...  
Keyword(s):  
Functional Groups ◽  
Room Temperature ◽  
Metal Organic Frameworks ◽  
High Capacity ◽  
Porous Metal ◽  
Methane Storage ◽  
Basic Nitrogen ◽  
Metal Organic

Incorporation of functional groups with Lewis basic nitrogen sites, including pyridine, pyridazine and pyrimidine groups, into NOTT-101 can remarkably improve both the total volumetric methane storage (at 65 bar and room temperature) and working capacities.

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>

Classification and role of modulators on crystal engineering of metal organic frameworks (MOFs)

2021 ◽  
Vol 444 ◽  
pp. 214064
Author(s):  
Danni Jiang ◽  
Chao Huang ◽  
Jian Zhu ◽  
Ping Wang ◽  
Zhiming Liu ◽  
...  
Keyword(s):  
Crystal Engineering ◽  
Metal Organic Frameworks ◽  
Metal Organic

scholarly journals Unravelling thermal stress due to thermal expansion mismatch in metal–organic frameworks for methane storage

2021 ◽  
Author(s):  
Jelle Wieme ◽  
Veronique Van Speybroeck
Keyword(s):  
Thermal Expansion ◽  
Thermal Stress ◽  
Pressure Coefficient ◽  
Metal Organic Frameworks ◽  
Methane Storage ◽  
Thermal Expansion Mismatch ◽  
Thermal Pressure ◽  
Temperature Changes ◽  
Metal Organic ◽  
The Impact

Thermal stress is present in metal–organic frameworks undergoing temperature changes during adsorption and desorption. We computed the thermal pressure coefficient as a proxy for this phenomenon and discuss the impact of thermal expansion mismatch.

scholarly journals Porphyrin and phthalocyanine-based Metal Organic Frameworks beyond metal-carboxylates

2020 ◽  
Author(s):  
Siddhartha De ◽  
Thomas Devic ◽  
Alexandra Fateeva
Keyword(s):  
Porous Materials ◽  
Metal Organic Frameworks ◽  
Metal Carboxylates ◽  
Natural Systems ◽  
Metal Organic

Given the ubiquitous role of porphyrins in natural systems, these molecules and related derivatives such as phthalocyanines are fascinating building units to achieve functional porous materials. Porphyrin-based MOFs have been...

Metal-organic frameworks for electrochemical reduction of carbon dioxide: The role of metal centers

2020 ◽  
Vol 40 ◽  
pp. 156-170 ◽  
Author(s):  
Ping Shao ◽  
Luocai Yi ◽  
Shumei Chen ◽  
Tianhua Zhou ◽  
Jian Zhang
Keyword(s):  
Carbon Dioxide ◽  
Electrochemical Reduction ◽  
Metal Organic Frameworks ◽  
Metal Centers ◽  
Metal Organic

Methane storage in flexible metal–organic frameworks with intrinsic thermal management

Nature ◽  
2015 ◽  
Vol 527 (7578) ◽  
pp. 357-361 ◽  
Author(s):  
Jarad A. Mason ◽  
Julia Oktawiec ◽  
Mercedes K. Taylor ◽  
Matthew R. Hudson ◽  
Julien Rodriguez ◽  
...  
Keyword(s):  
Thermal Management ◽  
Metal Organic Frameworks ◽  
Methane Storage ◽  
Metal Organic ◽  
Flexible Metal

Facile preparation of high-capacity hydrogen storage metal-organic frameworks: A combination of microwave-assisted solvothermal synthesis and supercritical activation

2010 ◽  
Vol 65 (10) ◽  
pp. 3140-3146 ◽  
Author(s):  
Zhonghua Xiang ◽  
Dapeng Cao ◽  
Xiaohong Shao ◽  
Wenchuan Wang ◽  
Jianwei Zhang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Solvothermal Synthesis ◽  
Metal Organic Frameworks ◽  
High Capacity ◽  
Microwave Assisted ◽  
Metal Organic ◽  
Facile Preparation

Role of a 3D Structure in Energy Transfer in Mixed-Ligand Metal–Organic Frameworks

2021 ◽  
Author(s):  
Shaunak M. Shaikh ◽  
Stefan Ilic ◽  
Bradley J. Gibbons ◽  
Xiaozhou Yang ◽  
Elena Jakubikova ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Metal Organic Frameworks ◽  
3D Structure ◽  
Mixed Ligand ◽  
Metal Organic
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