MM 23: Methods in Computational Materials Modelling: Battery Mateirals
Dienstag, 17. März 2015, 11:45–12:45, H 0106
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11:45 |
MM 23.1 |
Electronic structure of oxygen-deficient Li4Ti5O12−δ — Saskia Stegmaier, •Christoph Scheurer, and Karsten Reuter
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12:00 |
MM 23.2 |
Assessing PAW pseudopotentials for solid-state NMR calculations — •Ary Ferreira, Karsten Reuter, and Christoph Scheurer
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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
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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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