1 research outputs found
Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach
We propose a kinetic
Monte Carlo (kMC) model for simulating the
movement of platinum particles on supports, based on atom-by-atom
diffusion on the surface of the particle. The proposed model was able
to reproduce equilibrium cluster shapes predicted using Wulff-construction.
The diffusivity of platinum particles was simulated both purely based
on random motion and assisted using an external field that causes
a drift velocity. The overall particle diffusivity increases with
temperature; however, the extracted activation barrier appears to
be temperature independent. In addition, this barrier was found to
increase with particle size, as well as, with the adhesion between
the particle and the support