First principles investigation on carbon nanostructures functionalized with borane: An analysis on their hydrogen storage capacity

2011 ◽  
Vol 43 (8) ◽  
pp. 1528-1534 ◽  
Author(s):  
V.J. Surya ◽  
K. Iyakutti ◽  
V. Prasanna Venkatesh ◽  
H. Mizuseki ◽  
Y. Kawazoe
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Carbon Nanostructures ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity

Pressure Isotherms of Hydrogen Adsorption in Carbon Nanostructures

2001 ◽  
Vol 706 ◽  
Author(s):  
Xiaohong Chen ◽  
Urszula Dettlaff-Weglikowska ◽  
Miroslav Haluska ◽  
Martin Hulman ◽  
Siegmar Roth ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Activated Carbon ◽  
Hydrogen Storage ◽  
Carbon Nanostructures ◽  
Room Temperature ◽  
Storage Capacity ◽  
Hydrogen Adsorption ◽  
Single Wall Carbon Nanotubes ◽  
Hydrogen Storage Capacity ◽  
Carbon And Graphite

AbstractThe hydrogen adsorption capacity of various carbon nanostructures including single-wall carbon nanotubes, graphitic nanofibers, activated carbon, and graphite has been measured as a function of pressure and temperature. Our results show that at room temperature and a pressure of 80 bar the hydrogen storage capacity is less than 1 wt.% for all samples. Upon cooling, the capacity of hydrogen adsorption increases with decreasing temperature and the highest value was observed to be 2.9 wt. % at 50 bar and 77 K. The correlation between hydrogen storage capacity and specific surface area is discussed.

First-Principles Study on the Hydrogen Storage of Sandwich-Type Dimetallocenes

2013 ◽  
Vol 677 ◽  
pp. 149-152
Author(s):  
Bo An ◽  
Hai Yan Zhu
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
High Capacity ◽  
First Principles Calculation ◽  
Hydrogen Storage Materials ◽  
Ambient Conditions ◽  
Hydrogen Storage Capacity ◽  
Hydrogen Molecules ◽  
Sandwich Type

The paper mainly focuses on the ability of absorbing hydrogen molecule of the dimetallocene (C5H5)2TM2(TM=Ti/Zn/Cu/Ni) based on the first-principles calculation. The result indicates that these compounds can adsorb up to eight hydrogen molecules, the binding energy is 0.596eV/H2 for Cp2Ti2, 0.802eV/H2 for Cp2Zn2, 0.422eV/H2 for Cp2Cu2 and 0.182eV/H2 for Cp2Ni2 respectively. The corresponding gravimetric hydrogen-storage capacity is 7.1wt% for Cp2Ti2, 6.2wt% for Cp2Zn2, 6.3wt% for Cp2Cu2 and 6.5wt% for Cp2Ni2 respectively. These sandwich-type organometallocenes proposed in this work are favorable for reversible adsorption and desorption of hydrogen under ambient conditions. These predictions will likely provide a new route for developing novel high-capacity hydrogen-storage materials.

First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene

2014 ◽  
Vol 20 (5) ◽  
Author(s):  
Azadeh Khosravi ◽  
Abdolhosein Fereidoon ◽  
Morteza Ghorbanzadeh Ahangari ◽  
Masoud Darvish Ganji ◽  
Seyede Negar Emami
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity

Hydrogen storage capacity of different carbon nanostructures in ambient conditions

2005 ◽  
Vol 98 (7) ◽  
pp. 074316 ◽  
Author(s):  
Jae Won Jang ◽  
Cheol Eui Lee ◽  
Chan Ick Oh ◽  
Cheol Jin Lee
Keyword(s):  
Hydrogen Storage ◽  
Carbon Nanostructures ◽  
Storage Capacity ◽  
Ambient Conditions ◽  
Hydrogen Storage Capacity

Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures

2003 ◽  
Vol 119 (4) ◽  
pp. 2376-2385 ◽  
Author(s):  
Ju Li ◽  
Terumi Furuta ◽  
Hajime Goto ◽  
Toshiyuki Ohashi ◽  
Yoshiya Fujiwara ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Carbon Nanostructures ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Theoretical Evaluation ◽  
Pure Carbon

Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation

2018 ◽  
Vol 434 ◽  
pp. 843-849 ◽  
Author(s):  
Lihua Yuan ◽  
Long Kang ◽  
Yuhong Chen ◽  
Daobin Wang ◽  
Jijun Gong ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
Porous Graphene

Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction

2012 ◽  
Vol 112 (8) ◽  
pp. 084305 ◽  
Author(s):  
Hongyu Zhang ◽  
Mingwen Zhao ◽  
Hongxia Bu ◽  
Xiujie He ◽  
Meng Zhang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
Hydrogen Storage Capacity ◽  
High Hydrogen
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