Hydrogen storage in novel organometallic buckyballs

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Transition metal (TM) atoms bound to fullerenes are proposed as adsorbents for high density, room temperature, ambient pressure storage of hydrogen. C-60 or C48B12 disperses TMs by charge transfer interactions to produce stable organometallic buckyballs (OBBs). A particular scandium OBB can bind as many as 11 hydrogen atoms per TM, ten of which are in the form of dihydrogen that can be adsorbed and desorbed reversibly. In this case, the calculated binding energy is about 0.3 eV/H-2, which is ideal for use on board vehicles. The theoretical maximum retrievable H-2 storage density is similar to 9 wt%.
Publisher
AMERICAN PHYSICAL SOC
Issue Date
2005-04
Language
English
Article Type
Article
Keywords

GENERALIZED GRADIENT APPROXIMATION; WALLED CARBON NANOTUBES; METAL; MOLECULES; HYDRIDES; ATOMS

Citation

PHYSICAL REVIEW LETTERS, v.94, no.15

ISSN
0031-9007
DOI
10.1103/PhysRevLett.94.155504
URI
http://hdl.handle.net/10203/89924
Appears in Collection
NT-Journal Papers(저널논문)
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