Electrolyte structure near electrodes with molecular-size roughness

Phys Rev E. 2021 Jun;103(6):L060102. doi: 10.1103/PhysRevE.103.L060102.

Abstract

Understanding electrodes' surface morphology influence on ions' distribution is essential for designing supercapacitors with enhanced energy density characteristics. We develop a model for the structure of electrolytes near the rough surface of electrodes. The model describes an effective electrostatic field's increase and associated intensification of ions' spatial separation at the electrode-electrolyte interface. These adsorption-induced local electric and structure properties result in notably increased values and a sharpened form of the differential capacitance dependence on the applied potential. Such capacitance behavior is observed in many published simulations, and its description is beyond the capabilities of the established flat-electrodes theories. The proposed approach could extend the quantitatively verified models providing a new instrument of the electrode surface-parameter optimization for specific electrolytes.