Molecular Dynamics Study of the Graphene/Ionic Liquid Interface

کد مقاله : 1114-PHYCHEM23 (R1)

نویسندگان

مریم حمزه جونقانی *، معصومه فروتن دانشگاه تهران

چکیده مقاله

The results of classical molecular dynamics simulations on the behavior and properties of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate, a widely studied ionic liquid, and carbon nanostructures are reported in this work. The simulation results showed that the orientation of the ions near the substrate is such that it shows a non-wettability state of ionic liquid droplet on the graphene substrate.

کلیدواژه ها

Ionic liquid, Contact angle, Molecular dynamics simulation

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