Skip to Main content Skip to Navigation
Journal articles

Probing Acid Base Properties in Group V Aluminum Containing Zeolites

Abstract : The stability and acid base properties of group V Al containing zeolites have been investigated using a combination of experiment and theory. Using periodic density functional theory for a systematic investigation on a series of model zeolites, it is shown that the XdO group is more stabilized for X = vanadium and X OH for X = niobium or tantalum. The relative stability trend between both types of groups is found to be similar to the one observed in group V containing pure silica zeolites. The position of the group V element in the framework is also discussed. The use of protonation and deprotonation energy has enabled rationalization of the higher basicity of Nb Al containing zeolite on the molecular level.
Document type :
Journal articles
Complete list of metadatas

https://hal.sorbonne-universite.fr/hal-00750009
Contributor : Sabine Mendes <>
Submitted on : Thursday, November 8, 2012 - 5:57:30 PM
Last modification on : Wednesday, October 14, 2020 - 4:15:54 AM

Identifiers

Citation

A. Wojtaszek, Maria Ziolek, Frederik Tielens. Probing Acid Base Properties in Group V Aluminum Containing Zeolites. Journal of Physical Chemistry C, American Chemical Society, 2011, 116, pp.2462-2468. ⟨10.1021/jp208638k⟩. ⟨hal-00750009⟩

Share

Metrics

Record views

151