The promoting mechanism of SO42− on CeO2 for selective catalytic reduction of NO by NH3: A DFT study

Ceria catalysts have attracted considerable interest in the NH 3 -SCR reaction. The modification of SO 4 2− into CeO 2 promotes the NH 3 -SCR reaction. NH 3 adsorption property and four possible reaction paths are further design over CeO 2 (111) and SO 4 2− –CeO 2 (111) surface. The results reveal t...

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Veröffentlicht in:	Theoretical chemistry accounts 2022-08, Vol.141 (8), Article 40
Hauptverfasser:	Zhang, Yankun, Zhang, Kexin, Yang, Chunxiao, Yang, Meng, Peng, Guojian, Xie, Yu, Wen, Junjie, Xia, Futing, Jia, Lijuan, Zhang, Qiulin
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Adsorption Ammonia Atomic/Molecular Structure and Spectra Catalysts Cerium oxides Chemical reduction Chemistry Chemistry and Materials Science Inorganic Chemistry Lewis acid Organic Chemistry Physical Chemistry Regular Article Selective catalytic reduction Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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