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. 2025 May 8;5(4):262–268. doi: 10.1021/acsnanoscienceau.5c00003

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Adsorption of the NP at the solid surface from the 1-octyl-3-methylimidazolium tetrafluoroborate (C8) liquid film. (a) Potential of mean force (pmf) for the NP displacement in the direction perpendicular to the solid surface and the corresponding average force profile. Insets zoom over the middle of the liquid slab. (b) Number density of NP and IL sites in the direction perpendicular to the solid surface in the simulations corresponding to the pmf minimum at liquid/vacuum interface (solid curves) and in the simulation corresponding to the minimum at the contact with the surface (dashed curves). Vertical dotted lines indicate the positions of minima in the pmf. (c) Transversal slice of the simulation box showing the NP adsorbed over the solid surface, with interaction sites of the NP and the solid shown in pink, the cation tail in green, the cation head in blue (dark blue for charged sites, light blue for uncharged), and the anions in red.