Investigating the mechanism of propylene epoxidation over halogen (X = F, Cl, Br, I) modified Cu2O(110) surfaces: a theoretical study
Lingyun Zhou,
Zhu Wen,
Leyuan Cui
et al.
Abstract: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...
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