Cookies Policy

This site uses cookies. By continuing to browse the site you are agreeing to our use of cookies.

I accept this policy

Find out more here

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

No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.

Brill’s MyBook program is exclusively available on BrillOnline Books and Journals. Students and scholars affiliated with an institution that has purchased a Brill E-Book on the BrillOnline platform automatically have access to the MyBook option for the title(s) acquired by the Library. Brill MyBook is a print-on-demand paperback copy which is sold at a favorably uniform low price.

This Article is currently unavailable for purchase.
Add to Favorites
You must be logged in to use this functionality

Cover image Placeholder

The mechanism of the selective oxidation of methanol to formaldehyde over vanadia supported on silica, titania and zirconia, suggested recently by Khaliullin and Bell, has been critically reconsidered at the same density functional theory (B3LYP/6-31G*) level. It was shown that an improper use of cluster models mimicking an intrinsic support structure may result in the failure to explain the observed experimental findings like those found in the above paper, i.e. when considering the activation energies and TOF between those three different supports, as well as the next-nearestneighbor V environment geometry for vanadia supported on titania catalyst.


Full text loading...


Data & Media loading...

Article metrics loading...



Can't access your account?
  • Key

  • Full access
  • Open Access
  • Partial/No accessInformation