Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d3cp05372e
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Computational insights into the zeolite-supported gold nanocluster-catalyzed ethanol dehydrogenation to acetaldehyde

Yi Zhang,
Kangjian Tang,
Xiaoguang Bao

Abstract: Herein, computational studies were carried out to gain mechanistic insights into the ethanol dehydrogenation to acetaldehyde under both aerobic and anaerobic conditions catalyzed by silicalite-1 zeolite-encapsulated Au3 cluster cation.

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