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

Kh. Zakeri () and A. Dashti
Additional contact information
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

Surface Review and Letters (SRL), 2004, vol. 11, issue 02, 137-143

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.

Keywords: Monte Carlo simulation; TPD; desorption; CO/Cu(110); CO2/Cu(100); kinetics; desorption activation energy (search for similar items in EconPapers)
Date: 2004
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0218625X04006037
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:srlxxx:v:11:y:2004:i:02:n:s0218625x04006037

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0218625X04006037

Access Statistics for this article

Surface Review and Letters (SRL) is currently edited by S Y Tong

More articles in Surface Review and Letters (SRL) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().