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Monte Carlo simulations of the kinetics of catalytic reactions on nanometer-sized particles, with diffusion over facet boundaries

Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, ISSN: 0734-2101, Vol: 17, Issue: 4, Page: 1721-1726
1999
  • 15
    Citations
  • 0
    Usage
  • 9
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    15
    • Citation Indexes
      15
  • Captures
    9

Article Description

Using the Monte Carlo technique, we comprehensively investigate the steady-state kinetics of the 2A + B → 2AB reaction on a nanometer-sized catalyst particle. The attention is focused on the adsorbate-diffusion-mediated interplay of reaction kinetics occurring on different facets. This effect is explored for different ratios of the rate constants for adsorption, desorption, reaction, and diffusion. The results obtained demonstrate that the reaction kinetics can be uniquely different on nanometer particles compared to those on macroscopic single-crystal surfaces. © 1999 American Vacuum Society.

Bibliographic Details

H. Persson; P. Thormählen; V. P. Zhdanov; B. Kasemo

American Vacuum Society

Physics and Astronomy; Materials Science

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