Adsorption and aggregation of Dopamine on Boron nitridenanotube using molecular dynamics simulation

The aggregated adsorption and molecular interactions between dopamine and water molecules on the surface ofboron nitride nanotube (BNNT) were investigated using a molecular dynamics simulation. The RMSD, RDF and HBanalysis were performed on investigated system. The RMSD analysis showed that the system was stable during ۱۱۱ns simulations and no structural change occurred in the molecule.