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The self-diffusion of two-dimensional small Ag islands (containing up to $10$atoms) on Ag(111) surface has been studied using and self-learning kineticMonte Carlo [J. Phys.: Condens. Matter 24, 354004 (2012)] simulations. Avariety of concerted, multi-atom and single-atom processes were automaticallyrevealed in these simulations. The size dependence of the diffusioncoefficients, effective energy barriers as well as key diffusion processesresponsible for island diffusion are reported. In addition, we have comparedactivation barriers for concerted diffusion processes with those obtained fromDensity Functional Theory (DFT) calculations.

Self-learning kinetic Monte Carlo Simulations of Self-diffusion of small Ag clusters on Ag (111) surface