Investigation of the formation mechanism of AgNPs-GO in AgNPs-GO liquid band-aids using molecular dynamics simulations, and the effect of GO oxidation on solubility and silver loading

Liquid bandages belong to a new type of wound dressing. Compared to traditional band-aids, liquid bandages are generally suitable for superficial wounds. They are convenient to use, quickly seal wounds, can be applied to special areas, provide a transparent and aesthetically pleasing film after application, and have other functions such as waterproofing. However, there has been limited research on the application of carbon-based materials in antibacterial dressings. In this study, the formation mechanism of silver nanoparticle-graphene oxide composites was investigated using computer molecular simulation methods. The influence of graphene oxide oxidation degree on solubility and silver loading was studied. Through radial distribution function analysis, it was shown that the solubility of graphene oxide gradually increased and stabilized at 32.5%. Due to steric hindrance and solvent effects, the silver loading continuously decreased and stabilized at 22.5%. These results provide simulated references for further prescription optimization and production process optimization. The simulation results indicate that silver nanoparticles gradually approach, adsorb, and aggregate on the surface of graphene oxide in the solution system. With an increase in the oxidation degree, the solubility of graphene oxide continuously increases, while the silver loading continuously decreases and stabilizes.