Monte Carlo simulation of porous electrodes in the constant voltage ensemble

The authors studied the system composed of porous electrodes and electrolytes, using the Monte Carlo simulation in the constant voltage ensemble. It was found that, the osmotic stress is induced in the porous electrodes when voltage is applied. The osmotic stress was found to sensitively depend on the ion size and the applied voltage. The size asymmetry between the anion and the cation causes the asymmetry in the structural, electrostatic, and electro-mechanical properties between the anode side and the cathode side. The relation between those physical properties and the functional properties of porous electrodes as the electrical double layer capacitors or as the electro-active polymers is discussed. In particular, the dimensional change of porous electrodes is explained in terms of the interaction between the electrical double layers that develop in the pores when voltage is applied.