Comparison of atomic force microscopy force curve and solvation structure studied by integral equation theory

Atomic force microscopy can observe structures of liquids (solvents) on solid surfaces as oscillating force curves. The oscillation originates from the solvation force, which is affected by the interaction between the probe, substrate, and solvents. To investigate the effects of the interactions on the force curve, we calculated the force curves by integral equation theory with various probe and substrate conditions. The probe solvophilicity affected the force curves more than the substrate solvophilicity in our calculation, and its reason is qualitatively explained by the amount of the desolvated solvents. We evaluated the probes and parameters in terms of the qualitative estimation of the number density distribution of the solvent on the wall. The negative of the force curve's derivative with respect to the surface separation reflected the number density distribution better than the force curve. This parameter is based on the method that is proposed previously by Amano et al. [Phys. Chem. Chem. Phys. 18, 15534 (2016)]. The normalized frequency shift can also be used for the qualitative estimation of the number density distribution if the cantilever amplitude is small. Solvophobic probes reflected the number density distribution better than the solvophilic probes. Solvophilic probes resulted in larger oscillation amplitudes than solvophobic probes and are suitable for measurements with a high S/N ratio.