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Investigation of the Energetics of the Reactions ofNH2Species with Hydrogen and NO on the Pt(100) Surface by the Method of UBI-QEP

Author

Listed:
  • S. Azizian

    (Department of Chemistry, Faculty of Science, Bu-Ali Sina University, Hamadan, Iran)

  • H. Iloukhani

    (Department of Chemistry, Faculty of Science, Bu-Ali Sina University, Hamadan, Iran)

Abstract

The formation ofNH2,adsand its further reactions with hydrogen and NO on the Pt(100) surface were previously studied by the methods of HREELS and TPR, in order to understand the role of amino species in the mechanism of theNO+H2reaction. In this work the method of unity bond index – quadratic exponential potential (UBI-QEP) has been employed to rationalize the experimental findings by calculating the energies associated with the envisaged routes of reactions. It is concluded that the activation energy of formation ofNH2,adsis higher than water production. The simplicity of recombinative desorption of N2is due to the decrease of its activation energy because of the destabilizing effect ofOadsandNOads. The rate-determining step of explosive surface reaction in the saturated coadsorption layer ofNH2,adsand NOadsis dissociation ofNOads. Autocatalytic acceleration of the explosive reactions is due to the decrease of activation energy of the rds by increasing the number adsorption vacant sites.H2Ois produced via two different processes with different activation energies.NH3is produced via several paths.

Suggested Citation

  • S. Azizian & H. Iloukhani, 2003. "Investigation of the Energetics of the Reactions ofNH2Species with Hydrogen and NO on the Pt(100) Surface by the Method of UBI-QEP," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 10(04), pages 585-590.
    • Handle: RePEc:wsi:srlxxx:v:10:y:2003:i:04:n:s0218625x03005347
    DOI: 10.1142/S0218625X03005347
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