The Investigation of Surfactants Morphology Changes with the Graphene Sheet Using Molecular Dynamic Simulation

Physical adsorption of surfactants on graphene sheet is the applicable method for dispersing the graphite. Understanding the surfactants self-assembly have a deep effect on dispersing process.For this purpose, we conducted a large-scale all-atomistic molecular dynamics (MD) simulationto investigate the self-assembly of surfactants on graphene sheet. The effect of concentration and tail length of C12TAB and C16TAB has been studied on the pristine graphene sheet. Our results showed that the morphology of surfactants upon the graphene change depending on the surface coverage for both molecules. So that, the diagonally oriented has been observed by increasing the concentration of surfactants. Furthermore, the observation showed that the tail length of surfactants play the key role in morphology.

Keywords:

Graphene , Surfactants , Molecular Dynamic , Simulation