scholarly journals Response to “Comment on ‘Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures’ ” [J. Chem. Phys. 120, 9427 (2003)]

2004 ◽  
Vol 120 (19) ◽  
pp. 9430-9432 ◽  
Author(s):  
Ju Li ◽  
Sidney Yip
2003 ◽  
Vol 119 (4) ◽  
pp. 2376-2385 ◽  
Author(s):  
Ju Li ◽  
Terumi Furuta ◽  
Hajime Goto ◽  
Toshiyuki Ohashi ◽  
Yoshiya Fujiwara ◽  
...  

2001 ◽  
Vol 706 ◽  
Author(s):  
Xiaohong Chen ◽  
Urszula Dettlaff-Weglikowska ◽  
Miroslav Haluska ◽  
Martin Hulman ◽  
Siegmar Roth ◽  
...  

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.


2005 ◽  
Vol 98 (7) ◽  
pp. 074316 ◽  
Author(s):  
Jae Won Jang ◽  
Cheol Eui Lee ◽  
Chan Ick Oh ◽  
Cheol Jin Lee

2019 ◽  
Vol 04 (04) ◽  
pp. 1950009
Author(s):  
Julia A. Baimova ◽  
Karina A. Krylova ◽  
Ivan P. Lobzenko

Various carbon nanostructures, including graphene, are very promising for application in hydrogen storage. One of the promising ways to increase the hydrogen storage capacity of graphene is crumpling. In this work, an increase of hydrogen binding energy to graphene with ripple is studied by first-principle calculations. It is shown that binding energy can be considerably increased for hydrogen atom attached outside the cavity of graphene ripple. Further, by molecular dynamics simulation, it is shown that physisorption of hydrogen in the cavities of crumpled graphene is also very promising if hydrostatic compression is applied to the structure. The volumetric density of hydrogen storage can be increased for 14% for the compressed crumpled graphene in comparison with undeformed structure. Results obtained by two simulation techniques showed that crumpled graphene can be considered as a very promising media for hydrogen storage both by chemisorption and physisorption.


2015 ◽  
Vol 40 (11) ◽  
pp. 4184-4193 ◽  
Author(s):  
A.V. Avdeenkov ◽  
I.V. Bodrenko ◽  
D.G. Bessarabov ◽  
A.V. Bibikov ◽  
A.V. Nikolaev ◽  
...  

Author(s):  
Sheriden Smith ◽  
Young Ho Park

Carbon nanostructures were reported to be very promising materials for hydrogen storage, and a great deal of interest has been focused on adsorption of molecular hydrogen in carbon nanostructures. Although many experimental results for hydrogen storage in carbon nanostructures were reported, corresponding theoretical studies have not been developed and adsorption mechanisms have not been fully identified. Better understanding of molecular level phenomena provides clues to designing hydrogen storage that performs better. Atomic simulations are useful in the evaluation of hydrogen storage capacity of carbon nanotubes. In this paper, molecular simulations of hydrogen physisorption in carbon nanotubes were conducted. Hydrogen density distribution near carbon nanotubes was studied, and hydrogen storage capability is determined by computing hydrogen to carbon atom ratio. The peak hydrogen concentration around the nanostructures was simulated to be located relatively consistently around 3 angstroms away from each nanostructure.


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