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DPG

Berlin 2015 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 23: Methods in Computational Materials Modelling: Battery Mateirals

Dienstag, 17. März 2015, 11:45–12:45, H 0106

11:45 MM 23.1 Electronic structure of oxygen-deficient Li4Ti5O12−δSaskia Stegmaier, •Christoph Scheurer, and Karsten Reuter
12:00 MM 23.2 Assessing PAW pseudopotentials for solid-state NMR calculations — •Ary Ferreira, Karsten Reuter, and Christoph Scheurer
12:15 MM 23.3 DFT-based reference parameters for solid-state NMR on Li-ion batteries — •Simone Köcher, Rüdiger Eichel, Karsten Reuter, and Christoph Scheurer
12:30 MM 23.4 Phase field modeling of Li-insertion kinetics in single LiFePO4- nano-particles for rechargeable Li-ion battery application — •Michael Fleck, Holger Federmann, Philipp Amendt, and Heike Emmerich
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