Kinetic Monte Carlo simulations of Au clusters on Si(111)-7 × 7 surface

Kinetic-Dynamic Properties of Different Monomers and Two-Dimensional Homoepitaxy Growth on the Zn-Polar (0001) ZnO Surface

“…Since ZnO typically adopted either wurtzite or zincblende structure phases, the monomers tend to adsorb at these two types of hollow sites following the sequences of AaBb... and AaBbCc..., denoted as WZ and ZB, respectively. Considering the difference of the adsorption sites, the diffusion energy Δ E could be expressed (for simplicity) as normalΔ E = italicE wz / zb normald + italicn italici italicE wz / zb normalb − italicn italicj italicE zb / wz normalb Here subscript wz/zb denotes the monomers at wurtzite or zincblende sites and superscripts d and b denote the diffusion barrier and the interaction energy, respectively; n i and n j are the monomer numbers of the second nearest neighbor in the initial and target sites, respectively. Since recent research has proved that diffusion barrier of a molecule closely relates with its cohesive energy, the diffusion barrier is taken as the required energy for breaking the bonds between the adsorbed monomers and the surface.…”