Nanoconfinement and mass transport in metal–organic frameworks

2021 ◽  
Author(s):  
Conor H. Sharp ◽  
Brandon C. Bukowski ◽  
Hongyu Li ◽  
Eric M. Johnson ◽  
Stefan Ilic ◽  
...  
Keyword(s):  
Mass Transport ◽  
Computational Methods ◽  
Metal Organic Frameworks ◽  
Molecular Transport ◽  
Comprehensive Review ◽  
Metal Organic

A comprehensive review of pioneering experimental and computational methods for exploring molecular transport in metal–organic frameworks.

The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal–organic frameworks

RSC Advances ◽  
2015 ◽  
Vol 5 (34) ◽  
pp. 26735-26748 ◽  
Author(s):  
Saumitra Saha ◽  
Udo Becker
Keyword(s):  
Optical Properties ◽  
Detailed Analysis ◽  
Computational Methods ◽  
Chemical Bonding ◽  
Electronic Structures ◽  
Computational Study ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
First Time

A series of uranyl containing aliphatic dicarboxylate structures is studied using computational methods. Our computational study provides a detailed analysis of these MOFs and explores the effect of linkers on their properties for the first time.

scholarly journals Recent Advances in Simulating Gas Permeation through MOF Membranes

2021 ◽  
Author(s):  
Hilal Daglar ◽  
İlknur Erucar ◽  
Seda Keskin
Keyword(s):  
Structural Properties ◽  
Computational Methods ◽  
Critical Role ◽  
Metal Organic Frameworks ◽  
Gas Permeation ◽  
Gas Separations ◽  
Recent Advances ◽  
Metal Organic

In the last two decades, metal organic frameworks (MOFs) have gained increasing attention in membrane-based gas separations due to their tunable structural properties. Computational methods play a critical role in...

scholarly journals Applications of water stable metal–organic frameworks

2016 ◽  
Vol 45 (18) ◽  
pp. 5107-5134 ◽  
Author(s):  
Chenghong Wang ◽  
Xinlei Liu ◽  
Nilay Keser Demir ◽  
J. Paul Chen ◽  
Kang Li
Keyword(s):  
Membrane Separation ◽  
Metal Organic Frameworks ◽  
Proton Conduction ◽  
Comprehensive Review ◽  
Metal Organic

A comprehensive review is given on the applications of water stable metal–organic frameworks in areas of adsorption, membrane separation, sensing, catalysis, and proton conduction.

Luminescent metal–organic frameworks as chemical sensors based on “mechanism–response”: a review

2021 ◽  
Vol 50 (10) ◽  
pp. 3429-3449
Author(s):  
Mengjie Huangfu ◽  
Man Wang ◽  
Chen Lin ◽  
Jian Wang ◽  
Pengyan Wu
Keyword(s):  
Chemical Sensors ◽  
Metal Organic Frameworks ◽  
Comprehensive Review ◽  
Recent Developments ◽  
Metal Organic

The comprehensive review systematically summarizes the recent developments in the study of LMOFs as chemical sensors based on “mechanism–response”.

Strategies for Characterization of Large-Pore Metal-Organic Frameworks by Combined Experimental and Computational Methods

2009 ◽  
Vol 21 (20) ◽  
pp. 4768-4777 ◽  
Author(s):  
Youn-Sang Bae ◽  
David Dubbeldam ◽  
Andrew Nelson ◽  
Krista S. Walton ◽  
Joseph T. Hupp ◽  
...  
Keyword(s):  
Computational Methods ◽  
Metal Organic Frameworks ◽  
Large Pore ◽  
Metal Organic

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.

Sign in / Sign up

Export Citation Format

Share Document