The Kinetic Study of H2S Formation and Desorption on the S/Pt(111) Surface by Computer Simulation

Author:

Moshfegh A. Z.1,Zakeri K. H.1

Affiliation:

1. Department of Physics, Sharif University of Technology, PO Box 11365-9161, Tehran, Iran

Abstract

In this investigation, we have studied the kinetics and mechanism of formation and desorption of H 2 S on the Pt (111) surface using a kinetic random walk model. The effect of temperature on the H 2 S formation was studied in the range of 85–150 K. It was observed that a maximum amount of H 2 S is formed at 90 K and the amount is reduced at higher temperatures. H 2 S production yield as a function of time at different initial sulfur coverage ranging from 0.02 to 0.33 ML (1 ML ≃ 1 × 1015 atoms/cm 2) was also examined. It was obvious that as the initial S coverage increases, the rate of H 2 S formation rapidly increases and reaches a maximum value and then declines gradually. Furthermore, according to our simulated TPD spectra, for β = 1 K/s the maximum desorption rate occurs at Tp = 107.2 K . In addition, analysis of simulated TPD spectra of H 2 S desorption showed in an activation energy of H 2 S desorption Ed = 27.2 kcal/mol . Finally, the obtained simulated results were compared with the experimental data reported very recently, showing excellent agreement.

Publisher

World Scientific Pub Co Pte Lt

Subject

Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics

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