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Modeling Cathode/Separator/Lithium Metal Sandwich Including Porous Electrode Effects and Plating/Stripping - Proper Formulation, Transformation, and Efficient Numerical Simulation

The high theoretical capacity (3860 mAh g-1) and electrochemical potential of lithium (-3.040V v/s standard hydrogen electrode) makes it a promising candidate as a negative electrode for next-generation batteries.1 However, lithium electrodeposition on the metal anode surface creates dendrites that can lead to short-circuiting of the cell and loss of cyclability.
 There have been several approaches to modeling lithium electrodeposition in literature. Our past work entailed modeling the deposition as a moving interface, where the equations undergo coordinate transformation to track the changes in concentration and potential as deposition occurs.2 We have also shown that inducing convection in the boundary conditions at the moving interface that properly conserves the mass of lithium in the domain.3
 
 The electrodeposition of lithium on the metal anode produces signatures in the voltage response of the cell. In the past, we have shown that these signatures can be simulated with models that capture the transport phenomena during electrodeposition.
 This work extends our previous approaches to model the electrodeposition on the surface of the metal anode for a full-cell configuration, which includes a porous cathode. The influences of lithium electrodeposition on the voltage response for different cathode materials are analyzed.
 
 References 
 
 
 D. Lin, Y. Liu, and Y. Cui, Nat. Nanotechnol., 12, 194 (2017).
 
 
 M. Uppaluri, A. Subramaniam, L. Mishra, V. Viswanathan, and V. R. Subramanian, J. Electrochem. Soc., 167, 160547 (2020).
 
 
 L. Mishra et al., J. Electrochem. Soc., 168, 092502 (2021).
 
 
