Electrolyte Effects in a Model System for Mesoporous Carbon Electrodes
MCF Wander and KL Shuford, JOURNAL OF PHYSICAL CHEMISTRY C, 115, 4904-4908 (2011).
In this paper, a variety of alkali halide aqueous electrolyte solutions in contact with planar graphite slit pores are simulated using classical molecular dynamics. Size trends in structure and transport properties are examined by varying the choice of ions. The intermediate atomic weight ions within each group are found to diffuse faster than the larger or smaller ions. System dynamics are driven by changes in water hydration behavior and, specifically, by variations in the number of hydrogen bonds per water molecule. Both the cation and the anion sequences demonstrate that confinement effects can significantly alter the expected trends of alkali halide electrolytes.
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