Identification of Main Active Sites and the Role of NO<sub>2</sub> on NO<sub>x</sub> Reduction with CH<sub>4</sub> over In/BEA Catalyst: A Computational Study

Identification of Main Active Sites and the Role of NO<sub>2</sub> on NO<sub>x</sub> Reduction with CH<sub>4</sub> over In/BEA Catalyst: A Computational Study

The main active sites and the catalytic process in selective catalytic reduction of NO<sub>x</sub> by CH<sub>4</sub> (CH<sub>4</sub>-SCR) on In/BEA catalyst were investigated by density functional theory (DFT) using a periodic model. The [InO]<sup>+</sup&...

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Bibliographic Details
Main Authors: Erhao Gao, Hua Pan, Li Wang, Yao Shi, Jun Chen
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Catalysts
Subjects:
In/BEA
active sites
CH<sub>4</sub> activation
SCR
Online Access:https://www.mdpi.com/2073-4344/10/5/572

Internet

https://www.mdpi.com/2073-4344/10/5/572

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