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2-DIMENSIONAL HOPPING DIFFUSION ACROSS MATERIAL INTERFACES
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DOI：10.1016/0022-3697(94)90028-0.png)
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摘要
En 中文
We investigate two two-dimensional (2D) models of ion diffusion across material interfaces. The geometry of the interface is appropriate to the separator-cathode interface in solid state batteries. The first model is a deterministic lattice gas (LG) model explicitly including the site blocking effect; the second employs an atomistic (stochastic) kinetic Monte-Carlo (KMC) simulation. We include an energy barrier, allow an ion-ion Coulomb interaction and investigate the effect of a chemical potential, found by solving Laplace's equation with an applied potential in a geometry representing the battery. We use overvoltage measurements on InSe and dielectric loss measurements on B2O3-0.5Li2O-0.15Li2SO4 to determine the hopping rates in the two materials. Numerical Numerical results are presented for several values of the energy barrier, and two values of the applied potential both with and without the Coulomb interaction. The results of the two models are similar; quantitative differences are discussed within the context of the models. It is found that charging effects change the nature and relative importance of the effects of the other parameters in the problem. Therefore, a determination of the true Debye screening length, and therefore the number density of charge carriers, seems crucial.
Keyword:
INTERFACES
DIFFUSION
TRANSPORT PROPERTIES
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