شماره ركورد كنفرانس :
5328
عنوان مقاله :
Molecular Dynamics Study of the Graphene/Ionic Liquid Interface
پديدآورندگان :
Hamzeh Jouneghani Maryam mrymhamzeh@ut.ac.ir Department of Physical Chemistry, University of Tehran, Tehran, Iran , Foroutan Masumeh Department of Physical Chemistry, University of Tehran, Tehran, Iran
كليدواژه :
Ionic liquid , Contact angle , Molecular dynamics simulation
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
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.
