Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles

Abstract

In this work, the combination of experimental and theoretical results was employed to confirm an interaction between Cdots and AgNPs in the silver/Cdots hybrid nanoparticles. The experimental data obtained by UV Vis, IR, zeta potential and TGA techniques were correlated and interpreted by calculations obtained by DFT. Particularly, an interaction between the -COO- functional group of the Cdots with AgNPs was revealed. As consequence of this interaction, a frequency shift and a higher absorption intensity in the IR of the –OH group in the Cdots was theoretically predicted and also observed in the experimental IR spectra. Moreover a bonding and charge distribution analysis was also carried out. These results constitute new physical insight for Ag@Cdots system. Additionally, based in this type of interaction, energy calculations explained the negative charge surrounding the AgNPs, which was detected by zeta potential measurements. This systematic methodology is not only useful for this nanoparticles system, but could also be used to analyze the interaction between the components that constitute other types of hybrid nanoparticles.