Abstract:The potential energy curve for the adsorption of a hydrogen molecule by a truncated hollow sphere consisting of carbon atoms was evaluated by using the Lennard-Jones function for the pair interaction between a carbon atom and a hydrogen molecule. The sphere surface was regarded as a continuum with a uniform density identical to that of a graphite layer. The lower limit of the potential was found to be -200 meV when the sphere had a radius of 3.4 Å and no opening. By increasing the radius of the opening to 2.9 … Show more
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