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Total Oxidation of Methanol on Cu(110): A Density Functional Theory Study

✍ Scribed by Sakong, Sung; Gross, Axel


Book ID
124157321
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
390 KB
Volume
111
Category
Article
ISSN
1089-5639

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Density functional theory study of the o
✍ P. GonzΓ‘lez-Navarrete; L. Gracia; M. Calatayud; J. AndrΓ©S πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 1013 KB

Density functional theory was used to study the mechanism for the oxidation of methanol to formaldehyde. A vanadium oxide cluster OΒΌ ΒΌV(OH) 3 has been utilized to represent the catalytic system under hydrated conditions, i.e., in the presence of VΓ€ Γ€OH hydroxyl groups. Two types of methoxy-intermedi