Berlin 2024 – scientific programme
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AKE: Arbeitskreis Energie
AKE 3: Poster
AKE 3.9: Poster
Tuesday, March 19, 2024, 12:00–14:00, Poster C
Comparative Study of the Interfacial Stability at the Anode Site in Lithium and Sodium All-Solid-State Batteries Utilizing Density Functional Theory — •Sebastian Utz1,2 and Doreen Mollenhauer1,2 — 1Institute of Physical Chemistry, Justus-Liebig University Giessen, Germany — 2Center for Materials Research (LaMa), Justus-Liebig University Giessen, Germany
Improving and understanding the stability of the anode/electrolyte interface is one of the key challenges in the design of emerging high energy density batteries. One of these emerging battery types is the all-solid-state battery, which utilizes a lithium metal anode and promises, among other benefits, large improvements in energy density. However, it is particularly difficult to obtain experimental information at the solid/solid anode interface. Here, a theoretical study at density functional theory (DFT) level of theory has been carried out to investigate the interfacial stability of a high-capacity lithium metal anode in contact with a thiophosphate solid electrolyte and the analogous post-lithium sodium metal system, commonly regarded as a more sustainable alternative. Similarities and differences between the two systems are explored and discussed.