Tuning Selectivity in Catalytic Conversion of CO2 by One-Atom-Switching of Au9 and Au8Pd1 Catalysts

The optimization of catalysts for CO2 hydrogenation that is carried out in a traditional fixed-bed reactor predominantly focuses on pursuing various nanoparticles at the nanoscale. Much less is known about how heterogeneous catalysts can be exploited to precisely control the reaction pathways of CO2 conversion at the atomic level. Herein, we design atomically precise Au-9 and Au8Pd1 clusters intercalated into montmorillonite as heterogeneous catalysts to catalyze CO2 hydrogenation performed in a fixed-bed reactor. The substitution of the central Au atom of Au g by a Pd atom that forms Au8Pd1 enables the dynamic tuning of CO2-reduction selectivity from C-1 to C-2 hydrocarbons. The central Pd atom substitution also efficiently makes the cluster less fluxional to boost the catalytic activity of Au8Pd1. This work constitutes a general step toward rational design of atomic-scale catalysts for industrially important chemical reactions. [GRAPHICS] .

Automated summary

The study designed Au-9 and Au8Pd1 cluster catalysts, successfully controlling the selectivity of CO2 hydrogenation reaction, adjusting the selectivity from C-1 to C-2 hydrocarbons. This work marks a step towards the rational design of atomic-scale catalysts for industrially important chemical reactions.