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Reflection absorption infrared spectroscopy has been used to detect formate (OOCH) following the adsorption of methanol on an oxygen precovered Cu(100) surface. Formate is identified from a weak peak at 1340 cm -1 due to the symmetric OCO stretch. This assignment is supported by a redshift of the 1340 cm -1 peak to 1317 cm -1 when the surface is precovered with...
The energy variation in the overall catalytic oxidation of methanol to carbon dioxide on a copper surface is analyzed using the density functional theory. Adsorption energies, geometries and charges for methanol and the various intermediates were computed from geometry optimized calculations on a large cluster containing 22 copper atoms used to model the Cu(111) surface. The calculated parameters...
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