Active Sites on ZnXZr1-XO2-X Solid Solution Catalysts for CO2-to-Methanol Hydrogenation

Recently, ZnxZr1-xO2-x catalysts have attracted catalysts. In this study, we examined the effect of the Zn content on CO2-to-methanol hydrogenation over ZnxZr1-xO2-x catalysts and determined the active-site structure through both calculations and experiments. When the Zn content was low, ZnxZr1-xO2-x contained Zn clusters (isolated [ZnOa] clusters and [ZnbOc] oligomers). The presence of clusters indicates the formation of Zn-O-Zr sites. Interestingly, our calculations revealed that the Zn species in the clusters are easily exposed on the ZnxZr1-xO2-x surface. This result is in line with the experimental results, suggesting that Zn species were unevenly distributed on the ZnxZr1-xO2-x surface and deposited near the surface. The addition of excess Zn to ZrO2 led to the formation of both Zn-containing clusters and ZnO nanoparticles. During the reactions, the Zn-O- Zr sites derived from the clusters showed specific activity for CO2-to-methanol hydrogenation. Understanding the active-site structure will lead to the future development of ZnxZr1-xO2-x catalysts.

Automated summary

This study investigated the effect of Zn content on the CO2-to-methanol hydrogenation over ZnxZr1-xO2-x catalysts and determined the active-site structure through calculations and experiments. The results showed that Zn species in the catalysts were unevenly distributed and formed clusters and nanoparticles near the surface. The Zn-O-Zr sites derived from the clusters exhibited specific activity for CO2 conversion.