▎ 摘 要
The folding of graphene nanostructures driven by ionic liquid nanodroplets is studied by molecular dynamics simulations. Nanodroplets formed by nine different ionic liquids comprising alkylimidazolium, cholinium, and N-methylpiperazinium cations, paired with BF4, Tf2N, lactate, salicylate, and benzoate anions were studied. The interaction between these fluids and graphene nanoribbons was considered by the analysis of the effect of nanoribbons width and also complex geometries such as flower-like and planar graphene flakes. Likewise, the possibility of folding of graphene nanostructures supported on SiO2 was also analyzed. The folding mechanism driven by nine ionic liquids is analyzed showing the evolution of the different interaction energies. The reported results show suitable application of ionic liquid nanodroplets for controlling the folding of graphene nanoribbons, although those supported on SiO2 surfaces could not be folded by the studied systems.