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Dissociative chemisorption process of a molecule on a metal surface is discussed through the Anderson model. The density of states, the bond order, and the potential energy curve are calculated for various values of molecule-metal coupling constants. A qualitative explanation is given for the reason why the activation energy of H 2 –dissociation is larger on a Cu surface than on a Ni surface.
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Yoshinori Takahashi (1977) studied this question.
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