Berlin 2024 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
MM: Fachverband Metall- und Materialphysik
MM 50: Focus Session: Battery Materials – Ion Transport, Impurity Effects and Modelling (joint session KFM/MM)
MM 50.9: Vortrag
Donnerstag, 21. März 2024, 12:35–12:55, EMH 225
Understanding SEI formation in Alkali Metal Batteries — •Daniel Stottmeister1 and Axel Groß1,2 — 1Institut für Theoretische Chemie, Ulm University, Ulm, Germany — 2Helmholtz Institute Ulm, Ulm, Germany
Batteries have established themselves as one of the prime energy storage devices in modern times. Due to the relative scarcity of lithium and the ever-increasing demand for safe, efficient, and affordable energy storage solutions, post-lithium battery systems have emerged as promising future energy storage solutions. Other more common alkali metals like sodium and potassium are of particular interest. However, like their lithium predecessors, sodium and potassium batteries suffer from various issues, some of which originate from the formation of an instable solid electrolyte interphase (SEI). The formation mechanisms of said SEI are yet to be fully understood. Density Functional Theory (DFT) is a well-established method for the description of systems at the atomic level and can help to unravel some of the reaction mechanisms relevant to the formation of the SEI. This contribution uses ab initio molecular dynamics (AIMD) and DFT simulations to investigate and compare the electrolyte decomposition and the resulting SEI formation mechanisms of lithium, sodium, and potassium metal batteries at the atomistic level.
Keywords: Solid Electrolyte Interphase; Density Functional Theory; Ab initio Molecular Dynamics; Na Batteries; K Batteries