Digital-twin-driven structural and electrochemical analysis of Li+ single-ion conducting polymer electrolyte for all-solid-state batteries,Battery Energy

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Digital-twin-driven structural and electrochemical analysis of Li+ single-ion conducting polymer electrolyte for all-solid-state batteries
Battery Energy ( IF 9.0 ) Pub Date : 2023-01-13 , DOI: 10.1002/bte2.20220061
Jongjun Lee ₁ , Seoungwoo Byun ₁ , Hyobin Lee ₁ , Youngjoon Roh ₁ , Dahee Jin ₁ , Jaejin Lim ₁ , Jihun Song ₁ , Cyril Bubu Dzakpasu ₁ , Joonam Park ₂ , Yong Min Lee _{1,

2}

Affiliation

The electrode structure is a crucial factor for all-solid-state batteries (ASSBs) since it affects the electronic and ionic transport properties and determines the electrochemical performance. In terms of electrode structure design, a single-ion conducting solid polymer electrolyte (SIC-SPE) is an attractive solid electrolyte (SE) for the composite electrode among various SEs. Although the ionic conductivity of SIC-SPE is lower than other inorganic SEs, the SIC-SPE has a relatively lower density and can form an intimate contact between the SE and active materials (AM), resulting in an excellent electrode structure. The electrochemical performance of the cell with SIC-SPE was comparable with the cell with Li6PS5Cl (LPSCl), which has 10 times higher intrinsic ionic conductivity than SIC-SPE (SIC-SPE: 0.2 × 10⁻³ S cm⁻¹, LPSCl: 2.2 = 10⁻³ S cm⁻¹ at 25°C). 3D digital-twin-driven simulation showed that the electrode with SIC-SPE has a higher SE volume fraction, a lower tortuosity, and a larger AM/SE contact area than the LPSCl electrode. The favorable structure of the SIC-SPE electrode leads to lower overpotential than the LPSCl electrode during operation. Our results suggest that the SIC-SPE is a promising SE for making a good electrode structure in ASSBs.

中文翻译：

用于全固态电池的 Li+ 单离子导电聚合物电解质的数字孪生驱动结构和电化学分析

电极结构是全固态电池 (ASSB) 的关键因素，因为它会影响电子和离子传输特性并决定电化学性能。在电极结构设计方面，单离子导电固体聚合物电解质（SIC-SPE）是各种SE中复合电极的一种有吸引力的固体电解质（SE）。虽然 SIC-SPE 的离子电导率低于其他无机 SE，但 SIC-SPE 具有相对较低的密度，可以在 SE 和活性材料 (AM) 之间形成紧密接触，从而形成优异的电极结构。使用 SIC-SPE 的电池的电化学性能与使用 Li6PS5Cl (LPSCl) 的电池相当，后者的固有离子电导率是 SIC-SPE 的 10 倍（SIC-SPE：0.2 × 10 ^-3S cm ^-1，LPSCl：2.2 = 10 ^-3 S cm ^-1在25°C）。3D 数字孪生驱动仿真表明，与 LPSCl 电极相比，具有 SIC-SPE 的电极具有更高的 SE 体积分数、更低的曲折度和更大的 AM/SE 接触面积。SIC-SPE 电极的有利结构导致在操作期间比 LPSCl 电极更低的过电势。我们的结果表明，SIC-SPE 是一种很有前途的 SE，可用于在 ASSB 中制造良好的电极结构。

更新日期：2023-01-13

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