MM 8: Materials for the Storage and Conversion of Energy II
Montag, 9. März 2026, 15:45–18:30, SCH/A216
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15:45 |
MM 8.1 |
Self-Consistent Hubbard Corrections for Accurate Modelling of Li- and Na-Ion Cathodes — •Valentina Sanella, Stefan Schären, Cristiano Malica, Livia Giordano, Nicola Marzari, Claude Ederer, and Iurii Timrov
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16:00 |
MM 8.2 |
Voltage Profile Predictions for Na-Ion Cathodes: A Hybrid MLIP / PBEsol+U+V approach — •Stefan Schären, Valentina Sanella, Manuel Dillenz, Nicola Marzari, and Iurii Timrov
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16:15 |
MM 8.3 |
Electronic structure of perovskite oxides calculated with dynamical mean field theory — •Daniel Mutter, Jannis Ehrlich, Frank Lechermann, Daniel F. Urban, and Christian Elsässer
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16:30 |
MM 8.4 |
Unraveling the connection between Jahn-Teller dynamics and charge transport in LiMn2O4 — •Manuel Dillenz, José Maria Castillo Robles, Mikkel Agerbo Essendrop, Ivano Eligio Castelli, and Juan Maria García Lastra
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16:45 |
MM 8.5 |
Defect Landscape of Ba2In2O5: The Role of Oxygen Interstitials — •Rachele Sciotto and Karsten Albe
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17:00 |
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15 min. break
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17:15 |
MM 8.6 |
Interplay of Dynamic Defects and Ultrafast Carrier Dynamics in Lead-Free Double Oxide Perovskites Toward Stable, High- Performance Photovoltaics — •Manasa Gattavadi Basavarajappa, Arijeet Sarangi, and Sudip Chakraborty
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17:30 |
MM 8.7 |
Morphological study of LiNi0.5Mn1.5O4 synthesized with alkali molybdates by density functional theory — •Liang-Yin Kuo, Tavinder Singh, Rio Akbar Yuwono, Fu-Ming Wang, and Harald Oberhofer
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17:45 |
MM 8.8 |
Thermodynamic Stability of MgSc2Se4 Surfaces — •Sebastian Utz and Axel Gross
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18:00 |
MM 8.9 |
LDH Under Stress: Assessing Degradation Pathways of Ni-Fe-V Catalysts Under Technical Operating Conditions — •Juan Manuel Lombardi, Charles Pare, Karsten Reuter, and Christoph Scheurer
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18:15 |
MM 8.10 |
Quantum-mechanical study of miscibility of Sn in LaNi5 — •Martin Friák, Petr Čípek, Anna Huňařová, Kateřina Dočkalová, Jana Pavlů, and Ondřej Zobač
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