CONICET | Buscador de Institutos y Recursos Humanos

In this work, we utilize a top-down approach to synthesize nitrogen doped graphene quantum dots from a 3D-graphene precursor via an eco-friendly hydrothermal method. The nanoparticles obtained showed a 2-3 nm diameter and well dispersion behavior in aqueous media. The reaction mechanism of insertion of nitrogen from polyvinylpolypyrrolidone onto the 3D-graphene structure, via an esterification reaction, was studied by the density functional theory, in addition, the kinetic and thermodynamic magnitudes of the reaction was analyzed with the help of Eyring´s transition state theory and statistical thermodynamics. After analysis by ss-NMR and XPS spectroscopies, the functional groups involved in this process were characterized, and N was found mainly as amide / amine groups. Fluorescence emission, which exhibited a red shift (552 nm) and an emission maximum at 512 nm when excited at 480 nm, demonstrated a low stoke shift (Δλ = 32 nm), explained by the proposed structural model.