The Kinetic Study ofH2SFormation and Desorption on theS/Pt(111)Surface by Computer Simulation

A. Z. Moshfegh () and K. H. Zakeri
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A. Z. Moshfegh: Department of Physics, Sharif University of Technology, PO Box 11365-9161, Tehran, Iran
K. H. Zakeri: Department of Physics, Sharif University of Technology, PO Box 11365-9161, Tehran, Iran

Surface Review and Letters (SRL), 2003, vol. 10, issue 05, 745-750

Abstract: In this investigation, we have studied the kinetics and mechanism of formation and desorption ofH2Son thePt(111)surface using a kinetic random walk model. The effect of temperature on theH2Sformation was studied in the range of 85–150 K. It was observed that a maximum amount ofH2Sis formed at 90 K and the amount is reduced at higher temperatures.H2Sproduction yield as a function of time at different initial sulfur coverage ranging from 0.02 to 0.33 ML(1ML≃ 1 × 1015atoms/cm2)was also examined. It was obvious that as the initialScoverage increases, the rate ofH2Sformation rapidly increases and reaches a maximum value and then declines gradually. Furthermore, according to our simulated TPD spectra, forβ = 1K/sthe maximum desorption rate occurs atTp= 107.2K. In addition, analysis of simulated TPD spectra ofH2Sdesorption showed in an activation energy ofH2SdesorptionEd= 27.2kcal/mol. Finally, the obtained simulated results were compared with the experimental data reported very recently, showing excellent agreement.

Keywords: H2Sformation; desorption; TPD; simulation; kinetics (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0218625X03005542

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