文献类型：期刊文献

英文题名：Epoxidation of propylene by molecular oxygen at low temperature over AgCl-modified Ag-Cu bimetallic catalyst

作者：Sun, Xuequan[1];Lai, Zhuangzhuang[1];Ding, Min[1];Zheng, Xiang[2];Mao, Haifang[2];Zhan, Wangcheng[1];Wang, Li[1];Guo, Yun[1];Wang, Haifeng[1];Guo, Yanglong[1];Wang, Aiyong[1]

机构：[1]East China Univ Sci & Technol, Res Inst Ind Catalysis, Sch Chem & Mol Engn, State Key Lab green Chem Engn & Ind Catalysis, Shanghai 200237, Peoples R China;[2]Shanghai Inst Technol, Sch Perfume & Aroma Technol, Shanghai 201418, Peoples R China

年份：2025

卷号：443

外文期刊名：JOURNAL OF CATALYSIS

收录：;EI(收录号：20250417769761);WOS:【SCI-EXPANDED(收录号:WOS:001414577400001)】；

基金：This work was supported by the National Key Research and Devel-opment Program of China (2022YFB3504200) , the National Natural Science Foundation of China (22106101) , and the Fundamental Research Funds for the Central Universities.

语种：英文

外文关键词：Epoxidation of propylene; AgCl-modified; Selectivity; Reaction mechanism

摘要：As molecular oxygen is the cheapest oxidant, the epoxidation of propylene by molecular oxygen is a topic of great interest and also the most challenge topic in the heterogeneous catalysis. However, the epoxidation of propylene by only molecular oxygen has yet to be optimised to a significant extent. Here we show, AgCl-modified Ag20Cu/ BaCO3 bimetallic catalysts, prepared by in situ reduction co-deposition methods, were demonstrated to exhibit excellent catalytic activity for the epoxidation of propylene. First-principles density functional theory calculations were carried out to explore the inherent reaction mechanism and promotion effect of Cu and Cl addition. The addition of AgCl to Ag20Cu/BaCO3 bimetallic catalyst inhibited total oxidation of propylene, but enhanced both the rate of PO formation and PO selectivity. The highest PO selectivity of similar to 100 % was achieved over 2400 ppm AgCl-Ag20Cu-/BaCO3 bimetallic catalyst at 80 degrees C.