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DFT studies of the CH(4)-SCR of NO on Fe-doped ZnAl(2)O(4)(100) surface under oxygen conditions
The catalytic reduction performance of NO on the surface of Fe-doped ZnAl(2)O(4) (100) was calculated based on DFT. The adsorption of NO and other molecules, the change of reaction energy of CH(4) and C(2)H(4) as reducing agents, and the activation energy barrier of CH(4) were studied. It was found...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693394/ https://www.ncbi.nlm.nih.gov/pubmed/35423704 http://dx.doi.org/10.1039/d0ra10017j |