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Journal Articles Journal of Physical Chemistry C Year : 2011

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.

Domains

Catalysis
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Dates and versions

hal-00750009 , version 1 (08-11-2012)

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