- AMER CHEMICAL SOC
The phase behavior of ions in porous electrodes is qualitatively different from that in the bulk because of the confinement effect and the interaction between the electrode surface and the electrolyte ions. We found that porous electrodes of which the pore size is close to the size of the electrolyte ions can show ferroelectric phase behaviors in some conditions by Monte Carlo simulations of simple models. The phase behavior of the porous electrodes dramatically changes as a function of the pore size of the porous electrode and that is compared to the phase behavior of typical ferroelectric materials, for which the phase behavior changes as a function of the temperature or the composition. The origin of the phase behavior is discussed in terms of the molecular interaction and the ionic structure inside the porous electrodes. We also found that the density of counterions and that of co-ions inside porous electrodes changes in a nonlinear fashion as a function of the applied voltage, which is in agreement with the experimental results.
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