Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles

ARROYAVE, JEISON MANUEL; AMBRUSI, RUBÉN E.; PRONSATO, MARÍA ESTELA; JUAN, ALFREDO; PISTONESI, MARCELO FABIAN; CENTURIÓN, MARÍA EUGENIA

JOURNAL OF PHYSICAL CHEMISTRY B - (Print)

AMER CHEMICAL SOC

Año: 2020 vol. 124 p. 2425 - 2435

1520-6106

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