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The adsorption and dissociation of methanol on the fully oxidized and partially reduced (111) cerium oxide surface is studied using the PW91 functional as well as the PW91+U scheme. We investigate the influence of the detailed electronic structure of the Ce 4f band on the chemistry of methanol on the surface. For the partially reduced surface we obtain a spin delocalized, a ferromagnetic, and an anti-ferromagnetic...
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