In this work, the optical and electronic properties of a TiO2/graphene oxide quantum dots (GOQDs) composite were studied by experimental and computational methods. The experimental procedures were made on TiO2 and GOQDs nanoparticles synthesized by a sol-gel method and one-pot electrochemical carbonization, respectively. The characterization of these materials and the TiO2/GOQDs composite was made using field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), X-ray photoelectron microscopy (XPS), FT-IR spectroscopy, and dynamic light scattering (DLS). The experimental measurements of the optical properties of these materials by UV–Vis absorption spectroscopy indicate that the addition of GOQDs promotes the expansion of the radiation absorption of TiO2 towards the visible range. Similarly, photoelectrochemical tests performed to determine the electronic properties ...

This work describes the aggregation process and explains the optical behavior of graphene oxide quantum dots (GOQDs) in different solvents using molecular dynamics, DFT, and experimental observations. The optical behavior of electrochemically synthesized GOQDs in different solvents was analyzed by UV–Vis spectroscopy, and dependence between the spectra and the solvents (water, ethanol, acetone, chloroform, toluene, and n-hexane) was found. Molecular dynamics methods were used to determine that the local structure of the solvent molecules and the nature of intermolecular forces between GOQDs dominate their aggregation state and their optical properties in each solvent. These computational studies based on liquid-liquid systems provide a fast and straightforward approach to develop synthesis and purification methods that allow tailored advanced optical properties of GOQDs. © 2021 Elsevi...