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Title: Cooperative catalytically active sites for methanol activation by single metal ion-doped H-ZSM-5
Authors: Lin, WC
Wu, S
Li, G
Ho, PL
Ye, Y
Zhao, P
Day, S
Tang, C
Chen, W
Zheng, A
Lo, BTW 
Edman, Tsang, SC
Issue Date: 7-Jan-2021
Source: Chemical science, 7 Jan. 2021, v. 12, no. 1, p. 210-219
Abstract: Catalytic conversion of methanol to aromatics and hydrocarbons is regarded as a key alternative technology to oil processing. Although the inclusion of foreign metal species in H-ZSM-5 containing Brønsted acid site (BAS) is commonly found to enhance product yields, the nature of catalytically active sites and the rationalization for catalytic performance still remain obscure. Herein, by acquiring comparable structural parameters by both X-ray and neutron powder diffractions over a number of metal-modified ZSM-5 zeolites, it is demonstrated for the first time that active pairs of metal site-BAS within molecular distance is created when single and isolated transition metal cation is ion-exchanged with the zeolites. According to our DFT model, this could lead to the initial heterolytic cleavage of small molecules such as water and methanol by the pair with subsequent reactions to form products at high selectivity as that observed experimentally. It may account for their active and selective catalytic routes of small molecule activations.
Publisher: Royal Society of Chemistry
Journal: Chemical science 
ISSN: 2041-6520
EISSN: 2041-6539
DOI: 10.1039/d0sc04058d
Rights: © 2021 The Author(s). Published by the Royal Society of Chemistry
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported License (
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