作者: Mert Atilhan , Santiago Aparicio
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摘要: The interaction of 1-ethyl-3-methylimidazolium dicyanamide ionic liquid with graphene was studied using computational chemistry methods quantum and classical dynamics approaches. adsorption this at the surface, structure interfaces, layering were analyzed. arrangement ions composition adsorbed layers determined together strength ion–graphene interactions. Likewise, disrupting effect on interionic interactions considered. graphene–graphene potential mean force calculated to infer possible screening its relationship exfoliation ability.