The kinetics of surface reactions is normally described with macroscopic rate equations. There are different ways in which these equations can be used, but it is shown that they all have substantial drawbacks, which is the reason why we want to do kinetic Monte Carlo simulations. These simulations allow us to bridge the gap of many orders of magnitude in length and time scales between the processes on the atomic scale and the macroscopic kinetics.


Rate Equation Activation Barrier Atomic Scale Mean Field Approximation Coverage Dependence 
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Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  1. 1.ST/SKAEindhoven University of TechnologyEindhovenNetherlands

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