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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-...

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Detalles Bibliográficos
Autores principales:	Huang, Wei, Wang, Liang, Dong, Lu, Hu, Hongyun, Ren, Dongdong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
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

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