Improved Pd/CeO₂ Catalysts for Low-Temperature NO Reduction: Activation of CeO₂ Lattice Oxygen by Fe Doping.

ABSTRACT: Developing better three-way catalysts with improved low-temperature performance is essential for cold start emission control. Density functional theory in combination with microkinetics simulations is used to predict reactivity of CO/NO/H₂ mixtures on a small Pd cluster on CeO₂(111). At low temperatures, N₂O formation occurs via a N₂O₂ dimer over metallic Pd₃. Part of the N₂O intermediate product re-oxidizes Pd, limiting NO conversion and requiring rich conditions to obtain high N₂ selectivity. High N₂ selectivity at elevated temperatures is due to N₂O decomposition on oxygen vacancies. Doping CeO₂ by Fe is predicted to lead to more oxygen vacancies and a higher N_2<

SUBMITTER: Zhang L 

PROVIDER: S-EPMC8154324 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature