Regensburg 2013 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 15: Poster Session
MM 15.19: Poster
Montag, 11. März 2013, 18:00–20:00, Poster E
Rational Tuning and Thermodynamic Characterization of Lithium Silicides as Electrode Materials for Lithium Ion Batteries — •Thomas Gruber and Jens Kortus — TU Bergakademie Freiberg, Institute for Theoretical Physics,Leipziger Str. 23, 09596 Freiberg, Germany
LixSi is a promising anode material for lithium ion batteries due to its high specific energy density. There are several known stable phases with different Li/Si ratio. The main goal of our investigation is to support an understanding of the charging and discharging processes, which are directly related to the Li+ transport. For practical usage of LixSi in lithium ion batteries a proper understanding of the thermodynamical behavior of the material is required. The Gibbs free energy can be determined from the calculation of the phonon dispersion, which depends on pressure. We have calculated the isotropic thermal expansion of Li7Si3 and the non-isotropic thermal expansion of LiSi. This gives access to the thermal expansion coefficients, speci*c heat and other thermodynamical data. Our theoretical results are then compared to experimental data measured on these compounds.