| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385845 | Chemical Physics Letters | 2010 | 5 Pages |
Abstract
âºEvaluation of chemisorption energies of a hydrogen atom on four graphene-like fragments with different curvature showed that hydrogen atoms adsorb strongly at the edge site and convex surface. âºWe showed that hydrogen chemisorption at edge sites enhances the adsorption energy at the inner site. âºThe results suggest that the hydrogen dissociation from the carbon surface is more likely to occur than the hydrogen migration along the C-C bond keeping a weak C-H bond in flat surface. âºIt was suggested that diffusion path of chemisorbed hydrogen might be modified by introducing curvature. âºThese results suggest that hydrogen uptake caused by spillover on carbon-based hydrogen storage materials will be enhanced by controlling the structure of the carbon surfaces.
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Authors
Megumi Kayanuma, Umpei Nagashima, Hirotomo Nishihara, Takashi Kyotani, Hiroshi Ogawa,