Propane dehydrogenation on an extra-framework and framework-embedded metal site within ZSM-5 zeolite from first-principles microkinetic simulations

Author:

Du Yujue1,Hu Wende1,Chen Yunlei1,Wang Chuanming1ORCID,Yang Weimin1

Affiliation:

1. State Key Laboratory of Green Chemical Engineering and Industrial Catalysis, Sinopec Shanghai Research Institute of Petrochemical Technology Co. Ltd., Shanghai 201208, China

Abstract

The Lewis acid sites in ZSM-5 zeolite involving Co, Ni, and Cu cations were computationally studied on the stability and the PDH catalytic activity.

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

Royal Society of Chemistry (RSC)

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