This tool demonstrates the self-assembly process of gold nanoparticles (AuNPs) solvated in water and exposed to different surfactant molecules and concentrations. Gold nanoparticles are studied for their unique optical, electronic, and catalytic properties, making them valuable in fields such as biomedicine, catalysis, and electronics.
Surfactants, such as citric acid, are commonly used in the synthesis of gold nanoparticles to control their size and shape. These surfactant molecules attach to the surface of the nanoparticles, stabilizing them and preventing aggregation. As the surfactant concentration increases, the size of the gold nanoparticles generally decreases. In the absence of surfactants, over time, the gold in the solution tends to aggregate, eventually forming a bulk system.
Below, you'll find information about how these systems evolve during the simulation. All original systems contain a 16M concentration of gold (roughly 1200 gold atoms for every 3000 water molecules). For systems containing surfactants, you can choose to add surfactant molecules at half, the same, or 50% more than the concentration of gold. Select the surfactant and its concentration, and observe the trends in the results!