Broensted Acidity of Isomorphously Substituted ZSM-5 by B, Al, Ga, and Fe. Density Functional Investigations.

Acidic properties of [Al], [Ga] and [Fe]

Acidic properties of [Al], [Ga] and [Fe] isomorphously substituted zeolites. Density functional model cluster study of the complexes with a probe CO molecule

✍ Paul Strodel; Konstantin M. Neyman; Helmut Knözinger; Notker Rösch 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The Brensted acid strength and related characteristics of bridging hydroxyl groups in [Al]-, [Gal-and [Fe]-frameworksubstituted zeolites have been studied using a model cluster density functional approach based on a gradient-corrected exchange-correlation energy functional. The acidity is found to d