Hydride Generation on the Cu-Doped CeO2(111) Surface and Its Role in CO2 Hydrogenation Reactions

Ceria-based catalysts exhibit great activity in catalyzing selective hydrogenation of CO2 to methanol. However, the underlying mechanism of this reaction, especially the generation of active H species, remains unclear. In this work, we performed extensive density functional theory calculations corre...

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Veröffentlicht in:	Catalysts 2022-09, Vol.12 (9), p.963
Hauptverfasser:	Wang, Zhi-Qiang, Liu, Hui-Hui, Wu, Xin-Ping, Hu, Peijun, Gong, Xue-Qing
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Carbon dioxide Catalysts Cerium oxides Chemical reactions Copper Density functional theory Energy Hydrides Hydrogenation Mathematical analysis Methanol Nanoparticles Selectivity
Online-Zugang:	Volltext
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