Cu-ZrO2 catalysts with highly dispersed Cu nanoclusters derived from ZrO2@ HKUST-1 composites for the enhanced CO2 hydrogenation to methanol

• ZrO 2 @HKUST-1 composite was calcined to prepare Cu-ZrO catalysts with Cu nanoclusters. The catalyst significantly improved space time yield of CH 3 OH CO hydrogenation. is 5.2 times higher than reported under similar conditions. Controlled formation more interfaces that enhance activation. Pathways for the product and by-products are revealed via DFT calculations. In this study, a series highly dispersed nanoclusters were prepared calcination reduction @HKUST-1. These demonstrated an outstanding selectivity in methanol during space-time (STY) those by other researchers, which using conventional method tested same Density functional theory (DFT) study activation occurs at facilitates hydrogenation methanol. It concluded controlled not only provides large number efficient active centers hydrogenation, but also leads generation interfaces. two effects contribute superior catalytic performance nano