Ca(OH)2 nanoparticles are effective materials for cultural heritage restoration, hazardous substance absorption and photocatalyst. However, many methods are complex, and the particle sizes are usually above 80-100 nm, involving mediocre efficacy for application in the stone restoration field. In this work, Nano Ca(OH)2 with diameters less than 70 nm and composited with Graphene Quantum Dots (GQDs) were successfully synthesized in aqueous media. The morphology and structure of the nanoparticles were investigated with TEM, HRTEM, XRD, Raman and FTIR. The particle size distribution and relative kinetic stability of the Ca(OH)2 in ethanol were performed using a laser particle size analyzer and spectrophotometer. Firstprinciple calculations based on the spin-polarized density functional theory (DFT) were carried out to study the reaction process and combination model. The nanoparticles, as prepared, are composed of primary hexagonal crystals and high ammoniated precursors, which have a positive effect on reducing the grain size, and interacted with the GQDs hybrid process. According to the First-principle calculations results, the energy variation of the whole reaction process and the bonding mode between Ca(OH)2 and GQDs can be understood better.
Keywords: Ca(OH)2; DFT; Graphene Quantum Dots; complex; nanoparticles.