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Article Dans Une Revue Journal of Physical Chemistry C Année : 2011

Probing Acid Base Properties in Group V Aluminum Containing Zeolites

Résumé

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.

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Catalyse
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Dates et versions

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

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Citer

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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