选择性
化学
乙醇
催化作用
产量(工程)
Boosting(机器学习)
解吸
组合化学
材料科学
有机化学
吸附
计算机科学
机器学习
冶金
作者
Yang Lou,Feng Jiang,Wen Zhu,Li Wang,Tingyi Yao,Shanshan Wang,Bo Yang,Bing Yang,Yongfa Zhu,Xiaohao Liu
标识
DOI:10.1016/j.apcatb.2021.120122
摘要
Hydrogenation of CO2 into valuable chemicals is of great significance but very challenging due to its chemical inertness and selectivity controlling. Here, we report that CeO2 supported Pd dimers can efficiently convert CO2 to ethanol with significantly higher activity and selectivity compared to those in literatures, which gives a selectivity of 99.2 % to ethanol with a space-time yield of 45.6 gethanol gPd−1 h−1. The Pd dimers possessing unique Pd2O4 configuration and high homogeneity enables to directly dissociate CO2 to CO, trigger CC coupling but appropriately inhibit further C2+ coupling, which benefits to selectively form ethanol. The Pd2O4 configuration can strongly bind CO on Pd2/CeO2, which prevents CO desorption and promotes the coupling between CO and CH3 intermediates to form the precursor of ethanol. The strategy of constructing atom-precision active sites reported in this work opens new avenues to develop highly selective catalysts for CO2/CO hydrogenation reactions.
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