Decoupled NOx adsorption and reduction by CO over catalyst Fe/ZSM-5: A DFT study
| Autor: | Zhao Qian, L.K. Wang, Zhiqiang Wang, Peiliang Sun, Tien-Chien Jen, Fan Kai, Xingxing Cheng |
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| Rok vydání: | 2021 |
| Předmět: |
Chemistry
Inorganic chemistry General Physics and Astronomy chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Redox Oxygen 0104 chemical sciences Catalysis Reduction (complexity) Adsorption Density functional theory Physical and Theoretical Chemistry ZSM-5 0210 nano-technology NOx |
| Zdroj: | Chemical Physics Letters. 766:138344 |
| ISSN: | 0009-2614 |
| Popis: | Decoupled NOx adsorption and reduction was proposed to overcome the negative effect of oxygen for NO + CO reaction. Previous experimental study showed excellent NOx removal performance by using this process. In this study, we have applied density functional theory (DFT) to evaluate the possible pathways for the reactions of this process. The step of NO adsorption and oxidation involves the formation of NO3– and NO2. NO is more easily adsorbed on Fe/ZSM-5 than CO, which means that NO is firstly oxidized by O2 to form NO3– then reduced by CO to generate the complex structure NO2+–CO2 and release the CO2 immediately. |
| Databáze: | OpenAIRE |
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