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MONTE CARLO SIMULATION OF TEMPERATURE-PROGRAMMED DESORPTIONCO/Cu(110)ANDCO2/Cu(100)SYSTEMS

Author

Listed:
  • KH. ZAKERI

    (Department of Physics, Sharif University of Technology, PO Box 11365-9161, Tehran, Iran)

  • A. DASHTI

    (Department of Materials Science and Engineering, Sharif University of Technology, Tehran, Iran)

Abstract

In this investigation, we have studied the kinetics and mechanism of desorption ofCOfrom theCu(110)surface using a new Monte Carlo simulation and putting emphasis on high order lateral interaction. According to our simulated TPD spectra, forβ=10K/s the maximum desorption rate occurs atTm=218.6K. Furthermore, analysis of simulated TPD spectra ofCOdesorption shows that it is strongly lateral-interactive and results an activation energy ofCOdesorption fromCu(110)that isEd=66.6Kj/mol. These simulated results are compared with other reported results and show excellent agreement. After that we have investigated the kinetics and mechanism of desorption ofCO2from theCu(100)surface using a Monte Carlo simulation. According to our simulated TPD spectra, forβ=0.5K/s the maximum desorption rate occurs atTm=89.7K. Analysis of simulated TPD spectra ofCO2desorption shows that it is not strongly lateral-interactive and results in an activation energy ofCOdesorption fromCu(100)that isEd=25.2Kj/mol. Finally, theCO/Cu(110)system is compared with theCO2/Cu(100)system.

Suggested Citation

  • Kh. Zakeri & A. Dashti, 2004. "MONTE CARLO SIMULATION OF TEMPERATURE-PROGRAMMED DESORPTIONCO/Cu(110)ANDCO2/Cu(100)SYSTEMS," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 11(02), pages 137-143.
    • Handle: RePEc:wsi:srlxxx:v:11:y:2004:i:02:n:s0218625x04006037
    DOI: 10.1142/S0218625X04006037
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