What is it about?
Boron-substituted zeolites are important for chemical industries because they have moderate acidity and are therefore mild catalysts. Their acidity, however, depends on the structure of the zeolite. We study by computer modelling the effects of the presence of boron in zeolites of different structure.
Why is it important?
We show that boron acid sites in different frameworks respond differently to bases, and have therefore different chemical reactivity. In particular, boron sites in zeolites having small pores show very low acidity, while boron sites in zeolites with larger pores are more reactive.
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This page is a summary of: First principles studies on boron sites, January 2008, Elsevier, DOI: 10.1016/s0167-2991(08)80305-9.
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