화학공학소재연구정보센터
Journal of Crystal Growth, Vol.522, 139-150, 2019
Kinetic Monte Carlo simulations of coverage effect on Ag and Au monolayers growth on Cu (110)
In this work, different coverages (1% <= coverage <= 20%) are studied during the growth of Ag and Au monolayers on the Cu (1 1 0) surface using kinetic Monte Carlo simulations (kMC). The results have shown that as coverage increases, the likelihood of an isolated adatom connecting to another adatom or island also increases. Thus, the phenomenon by which an adatom disintegrates from one island to another becomes significant. Molecular statics method is used to calculate the activation energy barriers of several diffusion processes in the framework of the Embedded-Atom method (EAM). These diffusion processes are implemented in the kinetic Monte Carlo (kMC) simulations under the Anisotropic Bond-Breaking Model (ABBM) model. The results show that as the coverage increases, 1D clusters are observed at 200 K. However, the transition from compact 1D (at 200 K) to 2D islands has been observed for relatively high temperatures (300 K and 400 K).