AVS 45th International Symposium
    Surface Science Division Tuesday Sessions
       Session SS2-TuM

Paper SS2-TuM4
Monte Carlo Simulations of Catalytic Reactions on Nanometer-sized Particles

Tuesday, November 3, 1998, 9:20 am, Room 309

Session: Noble Metal Catalysis
Presenter: H. Persson, Chalmers University of Technology, Sweden
Authors: H. Persson, Chalmers University of Technology, Sweden
P. Thormählen, Chalmers University of Technology, Sweden
V.P. Zhdanov, Chalmers University of Technology, Sweden
B. Kasemo, Chalmers University of Technology, Sweden
Correspondent: Click to Email
Using a Monte Carlo algorithm, we have investigated the 2A+B@sub 2@ @>=@ 2AB reaction both on a nanometer-sized catalyst particle, with interacting facets, and also on an infinite surface, which represents a macroscopic catalyst surface. The reaction mimics practically important catalytic processes such as CO oxidation on Pt, Rh or Pd. In the present work we have studied the role of diffusion between different facets, different reaction to diffusion rates and the effect of desorption in these systems. Our results indicate that the kinetics on nanometer-sized particles can be remarkably different compared to the kinetics on a macroscopic catalyst surface.