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A density functional theory study of the oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia

✍ Scribed by N. U. Zhanpeisov

Book ID
111759739
Publisher
Springer Netherlands
Year
2004
Tongue
English
Weight
305 KB
Volume
30
Category
Article
ISSN
0922-6168

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Density functional theory study of the o
Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster
✍ 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