Structural properties in single-component metallic nanoparticle: Insights from the simulation study

Structural analysis and surface lattice contraction of gold nanoparticles (AuNPs) bounded by low-index {1 0 0}, {1 1 0}and {1 1 1} facets, with sizes in the range of 43–28897 atoms (Diameters from 1 to 10 nm) were investigated within the framework of Molecular Statics (MS) simulations based on the Embedded Atom Method (EAM) potential model. The present study provides insight into the size-dependent structural properties in AuNPs. All the numerical findings obtained in this Letter were compared with the available theoretical and experimental results.