Investigating the mechanism of propylene epoxidation over halogen (X = F, Cl, Br, I) modified Cu2O(110) surfaces: a theoretical study

The direct epoxidation of propylene using molecular oxygen to synthesize propylene oxide (PO) is a process of significant industrial and environmental interest. In this study, we employed density functional theory to explore the influence of halogen doping (specifically F, Cl, Br, and I) on the Cu2O...

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Veröffentlicht in:	Catalysis science & technology 2024-02, Vol.14 (4), p.928-934
Hauptverfasser:	Zhou, Lingyun, Zhu, Wen, Cui, Leyuan, Yang, Guangxu, Luo, Yingchun, Xie, Yadian, Cui, Can, Li, Chunyan, Fu, Gang
Format:	Artikel
Sprache:	eng
Schlagworte:	Bromine Catalysts Chemical synthesis Copper oxides Density functional theory Electron density Epoxidation Halogens Oxygen Propylene oxide Structural analysis
Online-Zugang:	Volltext
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