Regensburg 2022 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 2: Computational Materials Modelling: Energy Materials

MM 2.5: Vortrag

Montag, 5. September 2022, 11:15–11:30, H44

Exploration of cathode-stable layered solid-state electrolytes — •Sina Ziegler, Christoph Scheurer, and Karsten Reuter — Fritz-Haber-Institut der MPG, Berlin, Germany

Promising higher safety and capacity, all-solid-state lithium batteries are envisioned to replace standard lithium-ion batteries in the future. Lithium thiophophates achieve the highest Li ion conductivities of SSEs to date exceeding liquid electrolytes at 10 mS/cm [1].

Until now, the instability of most SSEs towards high-performance electrodes remains a critical challenge, with hardly any known SSE withstanding the reducing/oxidizing conditions at the lithium metal anode and/or high-voltage cathodes or forming electrochemically benign interfaces with the electrode active materials.

To address this issue, we investigate the concept of rare earth lithium halides as a material-efficient, nm thick cathode coating in contact with thiophosphate electrolytes as they provide wide electrochemical stability windows (0.36-6.71 V vs Li/Li⁺) as well as good chemical and thermodynamic stability [2,3].

In order to validate this approach, the thermodynamic stabilities of the emerging SSE / halide interfaces are examined by ab initio thermodynamics to screen reaction free enthalpies of possible interface reactions. Furthermore, (stable) products of selected material combinations are surveyed for sufficient lithium ion mobility.

[1] C. Wang et al., Energy Environ. Sci., 2021, 14, 2577 [2] J. Liang et al., Acc. Chem. Res. 2021, 54, 1023-1033 [3] K. Kim et al., Chem. Mater. 2021, 33, 10, 3669-3677