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molecular dynamics study of the graphene/ionic liquid interface
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نویسنده
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hamzeh jouneghani maryam ,foroutan masumeh
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منبع
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بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران - 1400 - دوره : 23 - بیست و سومین کنفرانس شیمی فیزیک انجمن شیمی ایران - کد همایش: 00210-50174 - صفحه:0 -0
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چکیده
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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.
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کلیدواژه
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ionic liquid ,contact angle ,molecular dynamics simulation
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آدرس
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, iran, , iran
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Authors
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