Iron-Decorated, Functionalized Metal Organic Framework for High-Capacity Hydrogen Storage: First-Principles Calculations

2010 ◽  
Vol 114 (33) ◽  
pp. 14276-14280 ◽  
Author(s):  
Moon-Hyun Cha ◽  
Manh Cuong Nguyen ◽  
Yea-Lee Lee ◽  
Jino Im ◽  
Jisoon Ihm
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Metal Organic Framework ◽  
High Capacity ◽  
First Principles Calculations ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach

RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4786-4794 ◽  
Author(s):  
Mohammadreza Hosseini ◽  
Danny E. P. Vanpoucke ◽  
Paolo Giannozzi ◽  
Masoud Berahman ◽  
Nasser Hadipour
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Metal Organic Framework ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Metal Organic ◽  
Organic Framework

The structural, electronic and magnetic properties of the MIL-47(Mn) metal–organic framework are investigated using first principles calculations.

First-principles investigation of hydrogen storage on lead(II)-based metal-organic framework

2016 ◽  
Vol 41 (4) ◽  
pp. 2711-2719 ◽  
Author(s):  
Seyfeddine Rahali ◽  
Mahamadou Seydou ◽  
Youghourta Belhocine ◽  
François Maurel ◽  
Bahoueddine Tangour
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Simulation of hydrogen storage tank packed with metal-organic framework

2013 ◽  
Vol 38 (29) ◽  
pp. 13000-13010 ◽  
Author(s):  
Jinsheng Xiao ◽  
Min Hu ◽  
Pierre Bénard ◽  
Richard Chahine
Keyword(s):  
Hydrogen Storage ◽  
Storage Tank ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Activated carbon @ MIL-101(Cr): a potential metal-organic framework composite material for hydrogen storage

2011 ◽  
Vol 37 (7) ◽  
pp. 746-753 ◽  
Author(s):  
P. B. Somayajulu Rallapalli ◽  
Manoj C. Raj ◽  
Dinesh V. Patil ◽  
K. P. Prasanth ◽  
Rajesh S. Somani ◽  
...  
Keyword(s):  
Composite Material ◽  
Activated Carbon ◽  
Hydrogen Storage ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

A porous 3d-4f heterometallic metal–organic framework for hydrogen storage

2010 ◽  
Vol 35 (15) ◽  
pp. 8166-8170 ◽  
Author(s):  
Ying Wang ◽  
Ming Fang ◽  
Yi Li ◽  
Jing Liang ◽  
Wei Shi ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework
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