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NO ADSORPTION ON Pd(111): THE FORMATION OF THE ISOCYANATE GROUP

Author

Listed:
  • GRACIELA R. GARDA

    (Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahía Blanca, Argentina)

  • RICARDO M. FERULLO

    (Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahía Blanca, Argentina)

  • NORBERTO J. CASTELLANI

    (Departamento de Física, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahía Blanca, Argentina)

Abstract

The reactive behavior of NO on Pd(111) has been studied using a semiempirical theoretical method. The adsorption sites and the related electronic structure have been considered. In particular, the dissociation process has been studied and compared with CO. Different dissociation mechanisms have been proposed and the formation of NCO species has been considered. The results follow the trends reported in the experimental literature.

Suggested Citation

  • Graciela R. Garda & Ricardo M. Ferullo & Norberto J. Castellani, 2001. "NO ADSORPTION ON Pd(111): THE FORMATION OF THE ISOCYANATE GROUP," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 8(06), pages 641-651.
    • Handle: RePEc:wsi:srlxxx:v:08:y:2001:i:06:n:s0218625x01001543
    DOI: 10.1142/S0218625X01001543
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