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Partial oxidation of methanol on Cu(110): Energetics and kinetics

Journal of Molecular Structure: THEOCHEM, no. 1 (2006): 117-122

Cited by: 12|Views0
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Abstract

The reaction pathway of the partial oxidation of methanol to formaldehyde on clean and oxygen-precovered Cu(110) has been studied by density functional theory calculations within the generalized gradient approximation. Dosing the Cu surfaces with oxygen promotes the methanol oxidation by stabilizing the methoxy intermediate on Cu and indu...More

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