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&...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-05-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/10/5/572 |