Fig. 4: Simulation of \({{{{{{\rm{P}}}}}}}_{1}^{{{{{{\rm{i}}}}}}}-{{{{{{\rm{P}}}}}}}_{2}\) dimer formation.

a Initial and final configurations upon dimer formation. Symbols indicating water molecules and ions were omitted for clarity. b Surface-to-surface distance \({r}_{{{{{{\rm{ss}}}}}}}\) between \({{{{{{\rm{P}}}}}}}_{1}^{{{{{{\rm{i}}}}}}}\) and \({{{{{{\rm{P}}}}}}}_{2}\) with the simulation time. c Interparticle interaction energy. d Number density of Cl‒ ions in the left and right regions between the two SPS particles. e Number density of Cl‒ and Na+ between the two particles at t = 120 ns. The black dashed line represents the center of the two particles, and the pink area shows a Cl‒ rich region. The error bars in panels d, e indicate three independent simulation runs, and the insets represent the analyzed regions.