Investigating the Effects of Linker Extension on H2 Sorption in the rht-Metal–Organic Framework NU-111 by Molecular Simulations

2018 ◽  
Vol 18 (12) ◽  
pp. 7599-7610 ◽  
Author(s):  
Shanelle Suepaul ◽  
Katherine A. Forrest ◽  
Tony Pham ◽  
Brian Space
Keyword(s):  
Metal Organic Framework ◽  
Molecular Simulations ◽  
Metal Organic ◽  
Organic Framework

An unusual H2 sorption mechanism in PCN-14: insights from molecular simulation

2016 ◽  
Vol 18 (31) ◽  
pp. 21421-21430 ◽  
Author(s):  
Tony Pham ◽  
Katherine A. Forrest ◽  
Brian Space
Keyword(s):  
Binding Site ◽  
Molecular Simulation ◽  
Metal Organic Framework ◽  
Molecular Simulations ◽  
Sorption Mechanism ◽  
Metal Organic ◽  
Organic Framework

Molecular simulations of H2 sorption in the metal–organic framework PCN-14 revealed an unusual sorption mechanism in the material with an intriguing primary binding site.

A phytochemical-containing metal–organic framework: Synthesis, characterization and molecular simulations for hydrogen adsorption

2015 ◽  
Vol 427 ◽  
pp. 138-143 ◽  
Author(s):  
Selçuk Demir ◽  
H. Merve Çepni ◽  
Yıldıray Topcu ◽  
Małgorzata Hołyńska ◽  
Seda Keskin
Keyword(s):  
Hydrogen Adsorption ◽  
Metal Organic Framework ◽  
Molecular Simulations ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Unravelling the water adsorption in a robust iron carboxylate metal–organic framework

2020 ◽  
Vol 56 (67) ◽  
pp. 9628-9631
Author(s):  
Dirk Lenzen ◽  
Jakob G. Eggebrecht ◽  
Paulo G. M. Mileo ◽  
Dominik Fröhlich ◽  
Stefan Henninger ◽  
...  
Keyword(s):  
Water Adsorption ◽  
Metal Organic Framework ◽  
Scale Up ◽  
Molecular Simulations ◽  
Adsorption Properties ◽  
Metal Organic ◽  
Iron Carboxylate ◽  
Organic Framework

Scale-up of an Fe-MOF and elucidation of its water adsorption properties by PXRD, sorption measurements and molecular simulations are reported.

Insights into an intriguing gas sorption mechanism in a polar metal–organic framework with open-metal sites and narrow channels

2014 ◽  
Vol 50 (55) ◽  
pp. 7283-7286 ◽  
Author(s):  
Katherine A. Forrest ◽  
Tony Pham ◽  
Keith McLaughlin ◽  
Adam Hogan ◽  
Brian Space
Keyword(s):  
Metal Organic Framework ◽  
Molecular Simulations ◽  
Sorption Mechanism ◽  
Gas Sorption ◽  
Narrow Channels ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Organic Framework

The metal–organic framework (MOF) [Cu(Me-4py-trz-ia)] exhibits an intriguing sorption mechanism for H2 and CO2 as discerned through molecular simulations.

Multifunctional metal–organic framework heterostructures for enhanced cancer therapy

2021 ◽  
Author(s):  
Jintong Liu ◽  
Jing Huang ◽  
Lei Zhang ◽  
Jianping Lei
Keyword(s):  
Cancer Therapy ◽  
General Principle ◽  
Biomedical Applications ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Functional Modulation ◽  
Organic Framework

We review the general principle of the design and functional modulation of nanoscaled MOF heterostructures, and biomedical applications in enhanced therapy.

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