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Cooperative catalytically active sites for methanol activation by single metal ion-doped H-ZSM-5

DOI: 10.1039/D0SC04058D DOI Help

Authors: Wei-Che Lin (University of Oxford) , Simson Wu (University of Oxford) , Guangchao Li (University of Oxford) , Ping-Luen Ho (University of Oxford) , Yichen Ye (University of Oxford) , Pu Zhao (University of Oxford) , Sarah Day (Diamond Light Source) , Chiu Tang (Diamond Light Source) , Wei Chen (Wuhan Institute of Physics and Mathematics) , Anmin Zheng (Wuhan Institute of Physics and Mathematics) , Benedict T. W. Lo (University of Oxford) , Shik Chi Edman Tsang (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemical Science , VOL 3

State: Published (Approved)
Published: October 2020
Diamond Proposal Number(s): 16358

Open Access Open Access

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.

Subject Areas: Chemistry

Instruments: I11-High Resolution Powder Diffraction

Added On: 09/11/2020 10:04


Discipline Tags:

Catalysis Organic Chemistry Physical Chemistry Zeolites Chemistry

Technical Tags:

Diffraction X-ray Powder Diffraction