Boosting(机器学习)
催化作用
化学
业务
化学工程
计算机科学
有机化学
人工智能
工程类
作者
Bo Kang,Zhilin Chen,Jie Yang,Mingxin Lv,Hongli He,Guoxin Chen,Liyuan Huai,Chunlin Chen,Jian Zhang
标识
DOI:10.1016/j.apcatb.2024.124563
摘要
Balancing the Cu+/Cu0 ratio is a common strategy to improve catalytic activity of Cu-based catalysts but is still constrained by low atomic utilization and the inherent nature of charge distribution. Herein, we reported a strategy of replacing the Cu0 active sites in Cu-based catalysts by constructing bimetallic sites on ceria, which consist of spatially separated trace amounts of palladium metal and plate-shaped Cu+ clusters with one-atom layers. The catalytic activity of the prepared Cu100Pd1/CeO2-FA catalyst (using formic acid) was 4 times that of conventional Cu100Pd1/CeO2-H catalyst in selective hydrogenation of 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan, even outperforming some existing noble metal catalysts. Multiple characterizations and theoretical calculations demonstrated that the Pd atom is the heterolytic activation site for H2 molecules while plate-shaped Cu+ metal clusters act as effective hydrogenation places. This directional control involving both spatial relationship and electronic structure of the active site provides a new strategy for designing hydrogenated catalysts.
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