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• W2734852222 endingPage "16414" @default.
• W2734852222 startingPage "16399" @default.
• W2734852222 abstract "A periodic density functional theory (DFT) calculation has been used to study the NO reduction by H2 on the stepped Pd(211) surface. The main route of N2 generation changes with temperature increasing. The dimer path is main for the formation of N2 at low temperature, in which two NO react and generate N2O2, and then N2O2 decompose to produce N2. However, the active N path becomes main to generate N2 via NO hydrogenate and dissociate to produce active N at high temperature. The formation of NH3 is via the successive hydrogenation of N or NH. Additionally, energy barriers showed that the Pd(211) surface exhibited higher catalytic activity to the reduction of NO by H2 than that on the Pd(111) surface, and the kinetics showed that the selectivity of N2 is higher than that of NH3 on the stepped Pd(211) surface below about 500 K." @default.
• W2734852222 created "2017-07-21" @default.
• W2734852222 creator A5000912155 @default.
• W2734852222 creator A5013077973 @default.
• W2734852222 creator A5019733187 @default.
• W2734852222 creator A5030863883 @default.
• W2734852222 creator A5039456852 @default.
• W2734852222 creator A5042767652 @default.
• W2734852222 creator A5062755510 @default.
• W2734852222 date "2017-07-25" @default.
• W2734852222 modified "2023-10-16" @default.
• W2734852222 title "Insight into the Reduction of NO by H₂ on the Stepped Pd(211) Surface" @default.
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