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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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| 出版年: | Materials (Basel) |
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| 主要な著者: | , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
MDPI
2018
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| 主題: | |
| オンライン･アクセス: | 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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