Improved hydrogen storage capacity by hydrogen spillover and fine structural characterization of MIL-100 metal organic frameworks

2014 ◽  
Vol 41 (10) ◽  
pp. 7655-7667 ◽  
Author(s):  
Abhijit Krishna Adhikari ◽  
Kuen-Song Lin ◽  
Chao-Shuen Chang
2016 ◽  
Vol 52 (50) ◽  
pp. 7826-7829 ◽  
Author(s):  
Ayesha Naeem ◽  
Valeska P. Ting ◽  
Ulrich Hintermair ◽  
Mi Tian ◽  
Richard Telford ◽  
...  

New zirconium based metal–organic framework (UBMOF-31) synthesised using mixed-linker strategy showing permanent porosity, excellent hydrogen uptake, and high selectivity for adsorption of CO2 over N2.


2013 ◽  
Vol 13 (4) ◽  
pp. 2549-2556 ◽  
Author(s):  
Kuen-Song Lin ◽  
Abhijit Krishna Adhikari ◽  
Mu-Ting Tu ◽  
Chieh-Hung Wang ◽  
Chao-Lung Chiang

2018 ◽  
Vol 6 (3) ◽  
pp. 441-441 ◽  
Author(s):  
Rafael Balderas-Xicohténcatl ◽  
Phillip Schmieder ◽  
Dmytro Denysenko ◽  
Dirk Volkmer ◽  
Michael Hirscher

2004 ◽  
Vol 837 ◽  
Author(s):  
Tae-Bum Lee ◽  
Daejin Kim ◽  
Seung-Hoon Choi ◽  
Eungsung Lee ◽  
Youjin Oh ◽  
...  

ABSTRACTIn order to explore rational designs and synthetic strategies toward efficient hydrogen storage materials, quantum mechanical calculations and grand canonical Monte Carlo simulations have been carried out on a series of the Metal-Organic Frameworks containing various organic linkers. The calculations for specific surface areas and the shape of frontier orbitals for various frameworks indicate that the hydrogen storage capacity is largely dependent on the effective surface area of the material, rather than the free volume. Based on the iso-electrostatic potential surface from density functional calculations and the theoretical amount of adsorbed hydrogen from the grand canonical Monte Carlo calculations, it was also found that the electron localization around the organic linker plays an important role in the hydrogen storage capacity of Metal-Organic Frameworks. The prediction of the modeling study is supported by the hydrogen adsorption experiments with IRMOF-1 and -3, revealing the more enhanced hydrogen storage capacity of IRMOF-3 compared with that of IRMOF-1 at 77 K and H2 1 atm.


2017 ◽  
Vol 6 (3) ◽  
pp. 510-512 ◽  
Author(s):  
Rafael Balderas-Xicohténcatl ◽  
Phillip Schmieder ◽  
Dmytro Denysenko ◽  
Dirk Volkmer ◽  
Michael Hirscher

2017 ◽  
Vol 6 (3) ◽  
pp. 578-582 ◽  
Author(s):  
R. Balderas-Xicohténcatl ◽  
Maurice Schlichtenmayer ◽  
Michael Hirscher

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