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Turning on Low-Temperature Catalytic Conversion of Biomass Derivatives through Teaming Pd<sub>1</sub> and Mo<sub>1</sub> Single-Atom Sites

Yu Tang, George Yan, Shiran Zhang, Yuting Li, Luan Nguyen, Yasuhiro Iwasawa, Tomohiro Sakata, Christopher M. Andolina, Judith C. Yang, Philippe Sautet, Franklin Tao

2024Journal of the American Chemical Society16 citationsDOIOpen Access PDF

Abstract

On-purpose atomic scale design of catalytic sites, specifically active and selective at low temperature for a target reaction, is a key challenge. Here, we report teamed Pd 1 and Mo 1 single-atom sites that exhibit high activity and selectivity for anisole hydrodeoxygenation to benzene at low temperatures, 100–150 °C, where a Pd metal nanoparticle catalyst or a MoO 3 nanoparticle catalyst is individually inactive. The catalysts built from Pd 1 or Mo 1 single-atom sites alone are much less effective, although the catalyst with Pd 1 sites shows some activity but low selectivity. Similarly, less dispersed nanoparticle catalysts are much less effective. Computational studies show that the Pd 1 and Mo 1 single-atom sites activate H 2 and anisole, respectively, and their combination triggers the hydrodeoxygenation of anisole in this low-temperature range. The Co 3 O 4 support is inactive for anisole hydrodeoxygenation by itself but participates in the chemistry by transferring H atoms from Pd 1 to the Mo 1 site. This finding opens an avenue for designing catalysts active for a target reaction channel such as conversion of biomass derivatives at a low temperature where neither metal nor oxide nanoparticles are.

Topics & Concepts

ChemistryCatalysisAtom (system on chip)PalladiumBiomass (ecology)Chemical engineeringOrganic chemistryParallel computingGeologyComputer scienceOceanographyEngineeringCatalysis and Hydrodesulfurization StudiesCatalysis for Biomass ConversionCatalytic Processes in Materials Science
Turning on Low-Temperature Catalytic Conversion of Biomass Derivatives through Teaming Pd<sub>1</sub> and Mo<sub>1</sub> Single-Atom Sites | Litcius