First-Principles Study of n‑Butane Monomolecular Cracking and Dehydrogenation on Two-Dimensional-Zeolite Model Systems: Reaction Mechanisms and Effects of Spatial Confinement

Two-dimensional (2D) ultrathin (∼0.5 nm) aluminosilicate bilayer films, consisting of hexagonal prisms (a.k.a. double 6-membered rings D6R) with acidic bridging hydroxyl groups exposed on the surface, have been previously synthesized on a Ru(0001) surface as a zeolite model system. These structures...

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Veröffentlicht in:Journal of physical chemistry. C 2023-07, Vol.127 (28), p.13593-13600
Hauptverfasser: Wang, Mengen, Boscoboinik, Jorge Anibal, Lu, Deyu
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Sprache:eng
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