Lattice Boltzmann Simulation of Lithium Peroxide Formation in Lithium–Oxygen Battery

Present research deals with multiphysics, pore-scale simulation of Li–O₂ battery using multirelaxation time lattice Boltzmann method. A novel technique is utilized to generate an idealized electrode–electrolyte porous media from the known macroscopic variables. Present investigation focuses on the performance degradation of Li–O₂ cell due to the blockage of the reaction sites via Li₂O₂ formation. Present simulations indicate that Li–air and Li–O₂ batteries primarily suffer from mass transfer limitations. The study also emphasizes the importance of pore-scale simulations and shows that the morphology of the porous media has a significant impact on the cell performance. While lower porosity provides higher initial current, higher porosity maintains sustainable output.