Abstract
Molecular dynamics simulation with an experimental work was performed on the TiO2 nanostructure film. The Morse potential function was used for the interatomic interactions. Then, the equations of motion for molecules and atoms are solved by Verlet algorithm. The effects of deposition rate and the number of TiO2 molecules were studied for morphology characterization of film surface. In addition, TiO2 nanostructure film was prepared experimentally with the sol–gel dip-coating method. The results of MD simulations provide a reasonable compatibility with Dektak surface profiler, atomic force microscopy (AFM) and scanning electron microscopy (SEM) images due to the morphology and surface structure of films.
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