scholarly journals In Silico Design of Metal Organic Frameworks with Enhanced CO2 Separation Performances: Role of Metal Sites

2019 ◽  
Vol 123 (46) ◽  
pp. 28255-28265 ◽  
Author(s):  
Gokay Avci ◽  
Sadiye Velioglu ◽  
Seda Keskin
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
In Silico Design ◽  
Metal Organic ◽  
Separation Performances

In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

2016 ◽  
Vol 4 (6) ◽  
pp. 2105-2114 ◽  
Author(s):  
Zhiwei Qiao ◽  
Kang Zhang ◽  
Jianwen Jiang
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
In Silico Screening ◽  
Metal Organic

We screened 4764 metal–organic frameworks and identified the best candidates for CO2 separation.

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 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

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

Surviving Under Pressure: The Role of Solvent, Crystal Size, and Morphology During Pelletization of Metal–Organic Frameworks

2021 ◽  
Author(s):  
Timothy C. Wang ◽  
Ashley M. Wright ◽  
William J. Hoover ◽  
Kevin J. Stoffel ◽  
Rachelle K. Richardson ◽  
...  
Keyword(s):  
Crystal Size ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Size And Morphology ◽  
Role Of Solvent

Critical role of water stability in metal–organic frameworks and advanced modification strategies for the extension of their applicability

2020 ◽  
Vol 7 (5) ◽  
pp. 1319-1347 ◽  
Author(s):  
Botao Liu ◽  
Kumar Vikrant ◽  
Ki-Hyun Kim ◽  
Vanish Kumar ◽  
Suresh Kumar Kailasa
Keyword(s):  
Drug Delivery ◽  
Water Purification ◽  
Gas Adsorption ◽  
Critical Role ◽  
Metal Organic Frameworks ◽  
Water Stability ◽  
Metal Organic

Metal–organic frameworks (MOFs) are well known for their versatile applications in diverse fields (e.g., gas adsorption, water purification, sensing, drug delivery, and catalysis).

scholarly journals Design of amine-functionalized metal–organic frameworks for CO2 separation: the more amine, the better?

2016 ◽  
Vol 52 (5) ◽  
pp. 974-977 ◽  
Author(s):  
Zhiwei Qiao ◽  
Nanyi Wang ◽  
Jianwen Jiang ◽  
Jian Zhou
Keyword(s):  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
Amine Functionalized ◽  
Metal Organic

A total of 41 825 metal–organic frameworks (MOFs) were computationally screened toward the design of amine-functionalized MOFs for CO2 separation.

scholarly journals The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

2019 ◽  
Vol 45 (14-15) ◽  
pp. 1082-1121 ◽  
Author(s):  
Arni Sturluson ◽  
Melanie T. Huynh ◽  
Alec R. Kaija ◽  
Caleb Laird ◽  
Sunghyun Yoon ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
Modelling And Simulation ◽  
Metal Organic
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