ISSN:
1090-6487
Keywords:
68.45.Da
;
81.05.Ys
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The mechanisms of sorption of H, O, C, and Cl atoms on the surface of a single-layer carbon tubelene are studied, and a comparison is made with the case of sorption of these atoms on graphite. Three versions of the position of the adatoms above the surface were studied. A cyclic-cluster model and an appropriately modified MNDO computational scheme are used. The optimal geometry of the sorption complexes and the sorption energies are obtained. The high hydrogen accumulation efficiency in a material consisting of single-layer carbon nanotubes is explained.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1134/1.567607
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