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

Yu，Jiahui1,2; Liu，Shuai1,2; Mu，Xueliang3; Yang，Gang1,2; Luo，Xiang1,2; Lester，Edward4; Wu，Tao1,2

2021-09-01

10.1016/j.cej.2021.129656

CHEMICAL ENGINEERING JOURNAL   影响因子和分区

1385-8947

1873-3212

In this study, a series of Cu-ZrO catalysts with highly dispersed Cu nanoclusters were prepared via the calcination and reduction of ZrO@HKUST-1 precursors. These catalysts demonstrated an outstanding selectivity in the yield of methanol during CO 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 testing conditions. Density functional theory (DFT) study revealed that the activation of CO occurs at the Cu-ZrO interfaces and facilitates the hydrogenation of CO to methanol. It is concluded that the controlled formation of the highly dispersed Cu nanoclusters not only provides a large number of highly efficient active centers for CO hydrogenation, but also leads the generation of more Cu-ZrO interfaces. These two effects contribute to the superior catalytic performance of the nano Cu-ZrO catalyst in CO hydrogenation.

CO2 hydrogenation Cu nano-cluster Cu-ZrO2 interfaces DFT simulation

SCI ; EI

英语

其他

Ningbo Science and Technologies Innovation 2025 Major Special Project[2018B10027] ; Zhejiang Provincial Department of Science and Technology[2020E10018]

Engineering

Engineering, Environmental ; Engineering, Chemical

WOS:000663664200005

ELSEVIER SCIENCE SA

20211610220574

Carbon dioxide ; Catalyst selectivity ; Copper ; Density functional theory ; Hydrogenation ; Methanol ; Zirconia

Copper:544.1 ; Nanotechnology:761 ; Chemical Reactions:802.2 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Organic Compounds:804.1 ; Inorganic Compounds:804.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; Solid State Physics:933

ENGINEERING

2-s2.0-85104061125

Scopus

1.Department of Chemical and Environmental Engineering,University of Nottingham Ningbo China,Ningbo,315100,China
2.Key Laboratory of Carbonaceous Wastes Processing and Process Intensification of Zhejiang Province,University of Nottingham Ningbo China,Ningbo,315100,China
3.Department of Mechanical and Energy Engineering,Southern University of Science and Technology,Shenzhen,518055,China
4.Department of Chemical and Environmental Engineering,The University of Nottingham,Nottingham,NG7 2RD,United Kingdom

Yu，Jiahui,Liu，Shuai,Mu，Xueliang,et al. Cu-ZrO2 catalysts with highly dispersed Cu nanoclusters derived from ZrO2@ HKUST-1 composites for the enhanced CO2 hydrogenation to methanol[J]. CHEMICAL ENGINEERING JOURNAL,2021,419.

Yu，Jiahui.,Liu，Shuai.,Mu，Xueliang.,Yang，Gang.,Luo，Xiang.,...&Wu，Tao.(2021).Cu-ZrO2 catalysts with highly dispersed Cu nanoclusters derived from ZrO2@ HKUST-1 composites for the enhanced CO2 hydrogenation to methanol.CHEMICAL ENGINEERING JOURNAL,419.

Yu，Jiahui,et al."Cu-ZrO2 catalysts with highly dispersed Cu nanoclusters derived from ZrO2@ HKUST-1 composites for the enhanced CO2 hydrogenation to methanol".CHEMICAL ENGINEERING JOURNAL 419(2021).