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Phase formation in alloy-type anode materials in the quaternary system Li–Sn–Si–C

Abstract Investigations on the thermodynamics of alloy-type anode materials have been carried out for the quaternary Li–C–Si–Sn system. Phase equilibria and phase stabilities were characterized in the binary subsystems Li–C, Li–Si, Li–Sn. The Calphad method was first used to optimize or completely re-establish all binary subsystems containing Li. For reasons of consistency, the binary subsystem Si–C had to be revisited and its Calphad description was modified. The ternary phase diagrams were then tentatively calculated by extrapolation from the binary subsystems and confirmed by key experiments. No ternary compounds were found. In order to verify the applicability of the anode materials in real batteries, some of the materials were nanostructured by ball milling and spark plasma sintering, the corresponding nanostructures were characterized. Theoretical predictions that nanograined Li2C2 can also be used as cathode material were verified experimentally. The methodologies worked out in the present project (e. g. nanoscale structure transmission electron microscopy analysis, glow discharge optical emission spectroscopy) were also employed in other projects and led to publications concerning other materials such as Mg alloys, carbon nanofibers and an Mn-based antiperovskite.