Can I read Reaction mechanism of selective catalytic reduction of NO with NH3 on Fe3O4 (1 1 1) surface: Experimental and DFT studies on EtoBox?

Reaction mechanism of selective catalytic reduction of NO with NH3 on Fe3O4 (1 1 1) surface: Experimental and DFT studies by Guozhen Qin; Yining Zhang; Jianfeng Zheng; Yifan Li; Xiaojin Han; Zhanggen Huang is a Engineering article available to read on EtoBox.

What is Reaction mechanism of selective catalytic reduction of NO with NH3 on Fe3O4 (1 1 1) surface: Experimental and DFT studies about?

Iron-based catalysts have vast potential for application prospect in selective catalytic reduction of NOx with NH3 (NH3-SCR). These catalysts offer excellent SCR activity at medium and high temperatures, N2 selectivity and environmental performance. Among these catalysts, Fe3O4 catalyst is highly active and significant in the denitration reaction due to the presence of both ferrous and ferric ions. This study utilized density functional theory (DFT) in combination with experimental measurements to investigate the reaction pathway of NH3-SCR on the Fe3O4(111) surface. The research found that the surface was favorable for the adsorption of NO molecules and followed the NO activation mechanism. Upon activation of NO at the Feoct site, it reacted with NH3 to form NH2NO, This compound then underwent decomposition into N2 and H2O. The presence of O2 on the catalyst facilitated the surface dehydrogenation reaction and completed the SCR cycle reaction. Based on the DFT results, the formation of NH2NO intermediate was the rate-determining step of SCR reaction. The Fe3O4(111) surface followed the L-H mechanism, which was in line with the experimental results. This study provided novel insigh

Who reads Reaction mechanism of selective catalytic reduction of NO with NH3 on Fe3O4 (1 1 1) surface: Experimental and DFT studies?

Author

Guozhen Qin; Yining Zhang; Jianfeng Zheng; Yifan Li; Xiaojin Han; Zhanggen Huang

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Engineering (Physical Sciences)