Calculation of the energy spectrum of surface oxygen on CuO by the interacting bonds method |
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| Authors: | N N Bulgakov V Yu Aleksandrov and V V Popovskii |
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| Institution: | (1) Institute of Catalysis, Novosibirsk, USSR |
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| Abstract: | Using the interacting bonds model a calculation has been made for the energy spectrum of oxygen on the CuO surface. Dissociative adsorption of oxygen can be realized in one and two-center forms with 9.2 and 60.4 kcal/mol, respectively. Intermediate values of the adsorption heats are attributed to oxygen adsorption on  induced and biographic defects. The theoretically calculated energy spectrum of adsorbed oxygen is in reasonable agreement with that obtained experimentally from the dependence of isosteric heats of oxygen adsorption on the surface coverage.
                         CuO.      -  9,2 60,4 / .   .  .
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