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The electrocaliation model is used to calculate the cell lithium concentrations, c. Based on the steady state assumption, a diffusion equation consistent with the property of Li diffusion in the electrolyte will be derived:

where, DLi is the lithium diffusion coefficient in the electrolyte, x is the distance from the electrode surface, c is the lithium concentration, n and T is the electrolyte density and temperature, respectively.

The time-dependent concentration profile c(x,t) is simulated by the analysis of cell charge and discharge simulations with the following boundary conditions: The anode surface is assumed as a plane electrode and infinite thickness. For the electrochemical model, the lithium concentration, c(x), is set at the anode surface, x = 0, with the full unit capacity of 3.367 × 105 mol/m3 obtained from the findings of the experimental measurements.

The steady-state analysis is extracted from the simulation results to analyze the capacity degradation. Figure 1 shows that the effective lithium diffusion rate is restrained within a small region near the anode surface, which corresponds to the region where lithium dendrite nucleation and growth occurs. The difference between the simulation results and experimental data is attributed to the limited Li diffusion capacity, in addition to the lack of a border blocking effect at the anode surface. From experimental data for Li half-cells, it is known that the release of lithium ions occurs in the entire volume of the anode material, therefore, the effective lithium diffusion rate at a given distance should be not less than zero [27]. d2c66b5586