Model for thermal desorption of hydrogen atoms from a graphite surface based on kinetic Monte Carlo simulations

  • Dumont F
  • Picaud F
  • Ramseyer C
 et al. 
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Kinetic Monte Carlo simulations are carried out to describe the mechanism which is responsible for the occurrence of two peaks in the thermal recombinative desorption of molecular H2 (or D2) from clean graphite surfaces, after chemisorption of H (or D) atoms. At sufficiently low hydrogen exposure to prevent formation of clusters on the surface, the main peak is shown to be due to paradimers, while the second, less intense peak is due to the loss of orthodimers and results of a competition between diffusion and evaporation of monomers and paradimers. © 2008 The American Physical Society.

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