Lithium Diffusion and Stress in a Polycrystalline Film Electrode

【Author】

YanFei Zhao;Bo Lu;Junqian Zhang;Department of Civil Engineering, Shanghai University;Materials Genome Institute,Shanghai University, and Shanghai Materials Genome Institute;Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University;Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University;Department of Mechanics, Shanghai University;

【Institution】

Department of Civil Engineering, Shanghai University;Materials Genome Institute,Shanghai University, and Shanghai Materials Genome Institute;Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University;Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University;Department of Mechanics, Shanghai University;

【Abstract】

In the present work, the two-dimensional analytical solution for Li diffusion in grains and grain boundaries of a polycrystalline film electrode is established with consideration of Li-segregation at the grain boundary. The stress field induced by the inhomogeneity of Li concentration, called chemical stress here for brevity, is analyzed via the finite element simulation.The effects of the grain boundary including its size, its diffusion coefficient as well as the segregation phenomenon on the solute concentration and the chemical stress are examined. It shows that grain boundaries can assist fast diffusion and significantly affect the stress profile in the whole film. It proves that tailoring the grain boundary size or other grain boundary-related parameters may provide an alternative strategy for improving the overall diffusivity and mechanical stability of battery electrodes.

【Keywords】

Polycrystalline film;;Two-dimensional diffusion;;Grain boundary;;Segregation;;Chemical stress

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