First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion

Zn-Containing ZSM-5 is a typical Lewis acid zeolite for C-H bond activation and exhibits high activity in methanol-to-aromatics (MTA) conversion. However, the nature of active Zn sites and the associated reaction mechanism still remain elusive. Using dehydrogenation of butane and cyclohexane as a mo...

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Veröffentlicht in:	Catalysis science & technology 2021-03, Vol.11 (6), p.231-246
Hauptverfasser:	Du, Yu-Jue, Hu, Wen-De, Wang, Chuan-Ming, Zhou, Jian, Yang, Guang, Wang, Yang-Dong, Yang, Wei-Min
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkanes Atmospheric models Catalytic activity Conversion Cyclohexane Dehydrogenation Density functional theory First principles Hydrogen bonds Lewis acid Low temperature Methanol Oxygen Reaction mechanisms Stability Zeolites
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