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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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| Publicado no: | Materials (Basel) |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5951331/ https://ncbi.nlm.nih.gov/pubmed/29570658 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11040485 |
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