Modeling the electrical double layer at solid-state electrochemical interfaces

摘要: Models of the electrical double layer (EDL) at electrode/liquid-electrolyte interfaces no longer hold for all-solid-state electrochemistry. Here we show a more general model EDL solid-state electrochemical interface based on Poisson–Fermi–Dirac equation. By combining this with density functional theory predictions, interconnected electronic and ionic degrees freedom in batteries, including band bending defect concentration variation space-charge layer, are captured self-consistently. Along mathematical solution, structure is presented various materials that thermodynamically stable contact lithium metal anode: solid electrolyte Li7La3Zr2O12 (LLZO) interlayer LiF, Li2O Li2CO3. The further allows design optimum thicknesses to minimize electrostatic barrier ion transport relevant battery interfaces. A self-consistent bridges electrochemistry physics developed fully describe electron distribution electrode/electrolyte applied lower interfacial resistance batteries.