Mechanism of Mercury Adsorption and Oxidation by Oxygen over the CeO(2) (111) Surface: A DFT Study

CeO(2) is a promising catalytic oxidation material for flue gas mercury removal. Density functional theory (DFT) calculations and periodic slab models are employed to investigate mercury adsorption and oxidation by oxygen over the CeO(2) (111) surface. DFT calculations indicate that Hg(0) is physica...

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Detalles Bibliográficos
Autores principales: Zhao, Li, Wu, Yangwen, Han, Jian, Lu, Qiang, Yang, Yongping, Zhang, Laibao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5951331/
https://www.ncbi.nlm.nih.gov/pubmed/29570658
http://dx.doi.org/10.3390/ma11040485

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5951331/
https://www.ncbi.nlm.nih.gov/pubmed/29570658
http://dx.doi.org/10.3390/ma11040485

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