Ni-dispersed fullerenes: Hydrogen storage and desorption properties

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Our study shows that the H-2 storage media using Ni-dispersed fullerenes could be viable alternatives to reversible hydrogen storage. It is demonstrated that a single Ni coated on the fullerene surface can store up to three H-2 molecules. Consequently, at high Ni coverage, Ni-dispersed fullerenes are considered to be the novel hydrogen storage media capable of storing similar to 6.8 wt % H-2, thus exceeding the Department of Energy target (6.5 wt %) for automobile applications. Moreover, the H-2 desorption activation barrier of 11.8 kcal/mol H-2 is ideal for many practical hydrogen storage applications. (c) 2006 American Institute of Physics.
Publisher
AMER INST PHYSICS
Issue Date
2006-01
Language
English
Article Type
Article
Keywords

DENSITY-FUNCTIONAL APPROXIMATION; MOLECULAR-ORBITAL METHODS; GAUSSIAN-BASIS SETS; CARBON NANOTUBES; EXCHANGE-ENERGY; BEHAVIOR; C-60; GAS

Citation

APPLIED PHYSICS LETTERS, v.88, no.5

ISSN
0003-6951
DOI
10.1063/1.2168775
URI
http://hdl.handle.net/10203/88834
Appears in Collection
EEW-Journal Papers(저널논문)
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