MODELING APPROACH TO THE NANOCRYSTALS FORMATION IN THE CARBONIZATION PROCESS OF POROUS SILICON
AbstractWe developed a Monte Carlo method, which allows you to simulate the formation of nanocrystals of silicon carbide in high-temperature carbonization of porous silicon and allows for bulk diffusion. The simulation results showed that during the carbonization of porous silicon substrate at temperatures of 1273 K and higher observes the formation of nanocrystals of silicon carbide in the surface regions of the quantum wire, which are nanoparticles of 5-10 nm, which corresponds to the experimental results. The paper also presents a thermodynamic model for the formation of nanocrystals, which takes into account the heterogeneous mechanism of the melting of silicon nanocrystals and explains all the experimental and numerical data.
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