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Density Functional Study on Adsorption of NH(3) and NO(x) on the γ-Fe(2)O(3) (111) Surface
γ-Fe(2)O(3) is considered to be a promising catalyst for the selective catalytic reduction (SCR) of nitrogen oxide (NO(x)). In this study, first-principle calculations based on the density function theory (DFT) were utilized to explore the adsorption mechanism of NH(3), NO, and other molecules on γ-...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005274/ https://www.ncbi.nlm.nih.gov/pubmed/36903617 http://dx.doi.org/10.3390/molecules28052371 |