Evaluation for the configurational and electronic state of SO3 adsorbed on Pt surface

Suzuki, Chikashi; Yamada, Y.; Nakagiri, Toshio

doi:10.1016/j.apsusc.2009.08.078

Cited by 8 publications

(1 citation statement)

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“…Past work has attempted to uncover the surface chemistry of SO x on Pt and Pd. − Experimental studies have confirmed a few stable configurations of SO 2 and have noted SO 3 and SO 4 formation in the presence of oxygen. ,, Analysis based on the unity bond index–quadratic exponential potential (UBI-QEP) method suggests that SO 2 oxidation, but not decomposition, is favored on various metal surfaces under typical engine exhaust conditions. , Available first-principles computational studies have also provided critical insights concerning SO 2 binding and oxidation, although predominantly on Pt. − …”

Section: Introductionmentioning

confidence: 99%

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

Sharma¹,

Sharma²,

Hamzehlouyan

et al. 2014

J. Phys. Chem. C

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This work examines the complex nature of SO x (x = 0−4) interaction and oxidation on Pt(111) and Pd(111) surfaces using density functional theory (DFT) calculations coupled with microkinetic modeling. Thermodynamic and kinetic analyses suggest similar adsorption and oxidation behaviors for SO x species on both metal surfaces, although the observed greater tendency of Pd to undergo sulfating is borne out by the present results. Selected quantities computed using DFT, when used in a previously developed microkinetic model, are shown to predict SO 2 conversion as a function of temperature in excellent agreement with available experimental data.

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Section: Introductionmentioning

confidence: 99%

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

Sharma¹,

Sharma²,

Hamzehlouyan

et al. 2014

J. Phys. Chem. C

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Electrochemical promotion of the SO2 oxidation over thin Pt films interfaced with YSZ in a monolithic electropromoted reactor

Hammad

Souentie

Papaioannou

et al. 2011

Applied Catalysis B: Environmental

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Experimental and kinetic study of SO2 oxidation on a Pt/γ-Al2O3 catalyst

Hamzehlouyan

Sampara

et al. 2014

Applied Catalysis B: Environmental

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Evaluation for the configurational and electronic state of SO3 adsorbed on Pt surface

Cited by 8 publications

References 14 publications

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

Electrochemical promotion of the SO2 oxidation over thin Pt films interfaced with YSZ in a monolithic electropromoted reactor

Experimental and kinetic study of SO2 oxidation on a Pt/γ-Al2O3 catalyst

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Evaluation for the configurational and electronic state of SO3 adsorbed on Pt surface

Cited by 8 publications

References 14 publications

SOxOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

SOxOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

Electrochemical promotion of the SO2 oxidation over thin Pt films interfaced with YSZ in a monolithic electropromoted reactor

Experimental and kinetic study of SO2 oxidation on a Pt/γ-Al2O3 catalyst

Contact Info

Product

Resources

About

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

SO_xOxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling