Two self-consistent-field Kinetic Monte Carlo (KMC) models are developed to simulate the operating cathode and anode of 9 mol% Yttria Stabilized Zirconia (YSZ) solid oxide fuel cells (SOFCs) using a database of elementary reaction rates obtained from experimental and first-principles rates. The rates are used in the unit cells of two asymmetrical YSZ lattices for the cathode and anode. KMC then gives the current-voltage (Ⅰ-Ⅴ) characteristics of this sequential set of elementary chemical reactions. The resistance of a single electrolyte lattice layer added to either simulation cell is extracted by Taylor-series interpolation of the Ⅰ-Ⅴ curves for simulation cells of different thickness. Its conductivity is obtained from this resistance using the cross-sectional area of the simulation cells. These conductivities are compared to experiment and a statistically independent model of this set of chemical reactions.
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