Dresden 2017 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 15: Symposium SYLI: Interfacial Challenges in Solid-State Li Ion Batteries - Interface-dominated behaviour

MM 15.1: Vortrag

Montag, 20. März 2017, 15:45–16:00, IFW A

Interfacial double layers in all-solid-state Li-ion batteries: theoretical insights — •Johannes Voss¹, Saskia Stegmaier², Karsten Reuter³, and Alan Luntz^1,2 — ¹SLAC National Accelerator Laboratory, Menlo Park, CA, USA — ²Stanford University, Stanford, CA, USA — ³Technische Universität München, Germany

Neglecting potential electrochemical and mechanical stability issues of the interface between battery electrode and solid Li-ion conducting electrolyte, we present a theoretical study of charge double layers at ideal solid-solid interfaces. Based on DFT calculations for Li₃OCl, we discuss ionic charge carrier stabilities and interactions in the bulk and at interfaces to electrodes. We furthermore employ continuum models parametrized with DFT energies to understand charging at both the anode and cathode interfaces, respectively, and discuss how spacer materials could mitigate related potential interfacial issues.