A Geometric Interpretation\nof Kinetic Zone Diagrams\nin Electrochemistry

Electrochemical systems with increasing complexity are\ngaining\nimportance in catalytic energy conversion applications. Due to the\ninterplay between transport phenomena and chemical kinetics, predicting\noptimization is a challenge, with numerous parameters controlling\nthe overall performance. Zone diagrams provide a way to identify specific\nkinetic regimes and track how variations in the governing parameters\ntranslate the system between either adverse or optimal kinetic states.\nHowever, the current procedures for constructing zone diagrams are\nrestricted to simplified systems with a minimal number of governing\nparameters. We present a computationally based method that maps the\nentire parameter space of multidimensional electrochemical systems\nand automatically identifies kinetic regimes. Once the current output\nover a discrete set of parameters is interpreted as a geometric surface,\nits geometry encodes all of the information needed to construct a\nzone diagram. Zone boundaries and limiting zones are defined by curved\nand flat regions, respectively. This geometric framework enables a\nsystematic exploration of the parameter space, which is not readily\naccessible by analytical or direct numerical methods. This will become\nincreasingly valuable for the rational design of electrochemical systems\nwith intrinsically high complexity.