Influence of elemental composition on structural, thermal and hydration behavior of gold-silver bimetallic nanoparticles.

In this study, molecular dynamics simulations (MDs) have been employed to explore the influence of elemental composition on the structural, thermal, and hydration behavior of the core-shell gold-silver bimetallic nanoparticles with three different concentrations AuAg, AuAg, and AuAg. The pure gold and silver metal nanoparticles have also been studied for the sake of comparison. The calculated cohesive and formation energy values reveal the enhancement in the stability of gold-silver bimetallic nanoparticles with the increase in the concentration of gold.