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In this study, in order to identify the effect of surface coverage and structure over Co catalyst on the behaviors of H2 adsorption and activation, the adsorption, dissociation and desorption of H2 at different coverage over the periodic p(3 × 3) Co(0001) and (100) surfaces have been examined over Co catalyst, in which H2 adsorption with the parallel and vertical modes at different sites have been...
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