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• W3147613640 abstract "• ZrO 2 @HKUST-1 composite was calcined to prepare Cu-ZrO 2 catalysts with Cu nanoclusters. • The catalyst significantly improved space time yield of CH 3 OH of CO 2 hydrogenation. • CH 3 OH yield is 5.2 times higher than reported catalysts under similar conditions. • Controlled formation of more Cu-ZrO 2 interfaces that enhance CO 2 activation. • Pathways for the yield of product and by-products are revealed via DFT calculations. In this study, a series of Cu-ZrO 2 catalysts with highly dispersed Cu nanoclusters were prepared via the calcination and reduction of ZrO 2 @HKUST-1. These catalysts demonstrated an outstanding selectivity in the yield of methanol during CO 2 hydrogenation. The space-time yield (STY) of methanol is 5.2 times higher than that of those similar catalysts reported by other researchers, which were prepared using conventional method and tested under the same conditions. Density functional theory (DFT) study revealed that the activation of CO 2 occurs at the Cu-ZrO 2 interfaces and facilitates the hydrogenation of CO 2 to methanol. It is concluded that the controlled formation of highly dispersed Cu nanoclusters not only provides a large number of highly efficient active centers for CO 2 hydrogenation, but also leads to the generation of more Cu-ZrO 2 interfaces. These two effects contribute to the superior catalytic performance of the nano Cu-ZrO 2 catalyst in CO 2 hydrogenation." @default.
• W3147613640 created "2021-04-13" @default.
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• W3147613640 date "2021-09-01" @default.
• W3147613640 modified "2023-10-17" @default.
• W3147613640 title "Cu-ZrO2 catalysts with highly dispersed Cu nanoclusters derived from ZrO2@ HKUST-1 composites for the enhanced CO2 hydrogenation to methanol" @default.
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• W3147613640 doi "https://doi.org/10.1016/j.cej.2021.129656" @default.
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