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- W4306405940 abstract "Among the many pollutants emitted from coal-fired power plants, elemental mercury (Hg0) and nitrogen oxides (NOx) are widely concerned and regarded as a global environmental problem. Catalytic oxidation is an effective method to remove the above power plant pollutants. Although the recent pioneering experiment found that single-atom catalysts (SACs) exhibit excellent performance for the oxidation of NO and Hg0, the reaction mechanism for the simultaneous removal of NO and Hg0 has not been thoroughly revealed. In this work, a single-atom iron catalyst supported by a double vacancy doped graphene substrate with four N atoms (Fe1N4) was used to explore the reaction mechanism of O2 simultaneous catalytic of NO and Hg0. By using DFT method and energy span model, all possible paths of simultaneous catalytic oxidation of NO and Hg0 are enumerated. Among the ten paths we found, Termolecular Eley-Rideal (TER) mechanism has the lowest energy barrier. The rate determining reaction barrier is 1.59 eV. Disregarding the contribution of molecular collisions, TER path is more kinetically favorable for the integrated removal of NO and Hg0. Comprehensive consideration of intermolecular collisions, the catalytic oxidation reaction follows the E-R mechanism. The study deepened the understanding of the reaction mechanism of simultaneous removal of NO and Hg0." @default.
- W4306405940 created "2022-10-17" @default.
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- W4306405940 date "2023-01-01" @default.
- W4306405940 modified "2023-10-18" @default.
- W4306405940 title "Simultaneous catalytic oxidation mechanism of NO and Hg0 over single-atom iron catalyst" @default.
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- W4306405940 cites W2010847418 @default.
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- W4306405940 cites W2022298832 @default.
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- W4306405940 cites W2083222334 @default.
- W4306405940 cites W2101094131 @default.
- W4306405940 cites W2108806320 @default.
- W4306405940 cites W2118253891 @default.
- W4306405940 cites W2122427541 @default.
- W4306405940 cites W2124088034 @default.
- W4306405940 cites W2153475135 @default.
- W4306405940 cites W2182732396 @default.
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- W4306405940 cites W2777875256 @default.
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- W4306405940 cites W2935606219 @default.
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- W4306405940 cites W2973980246 @default.
- W4306405940 cites W2981369474 @default.
- W4306405940 cites W2998701631 @default.
- W4306405940 cites W2998949965 @default.
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- W4306405940 doi "https://doi.org/10.1016/j.apsusc.2022.155298" @default.
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