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A DFT-D study on the reaction mechanism of selective catalytic reduction of NO by NH<sub>3</sub> over the Fe<sub>2</sub>O<sub>3</sub>/Ni(111) surface
23
Citations
54
References
2021
Year
Materials ScienceInorganic ChemistryChemical EngineeringEngineeringDft-d StudySurface ScienceReaction MechanismHeterogeneous CatalysisCatalysisScr Reaction MechanismChemistryCatalyst ActivationCatalytic ProcessSelective Catalytic ReductionCatalyst Surface
The adsorption and SCR reaction mechanism of NH<sub>3</sub>, NO, and O<sub>2</sub> molecules on the Fe<sub>2</sub>O<sub>3</sub>/Ni(111) catalyst surface was revealed.
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