  Gold nanoparticles (GNPs) constitute a breakthrough in modern chemistry. The
recent success in the synthesis and total structure determination of the
precise-composition GNPs provides exciting opportunities for fundamental
studies and development of novel applications. GNPs allow for specific number
of alien metal atoms to be incorporated into the gold core. Doping tunes
optical, structural, and electronic properties of the nanostructure. This work
examines silver-doped negatively charged Au25Ag25-N (N=1,2,3) GNPs using
PM7-MD. GNP is shown to accommodate multiple silver atoms, whereas silver atoms
prefer to create Au2 clusters at the surface. Silver-gold binding appears
inferior to the gold-gold binding.
