Fig. 1: Phase transitions predicted from all-atom EDL simulations and their connection to capacitance peaks.
From: Electric double layer structure in concentrated aqueous solution
a Snapshot of the simulation system for the Ag(100) electrode–NaF electrolyte interface. b Curves for surface charge density (σ) versus electrode potential (E) predicted from all-atom simulations at different bulk electrolyte concentrations. Red ovals indicate S-shaped regions associated with phase transitions. c Schematic diagrams showing the S-shaped curve on the σ-E plane, with the red dashed line indicating the phase transition path. d Corresponding schematic of the capacitance peak. e Experimental capacitance curves for the Ag(100) electrode in NaF electrolytes at 298 K, showing the camel-to-bell shape transition with increasing electrolyte concentration.
