MM 12: Materials for the Storage and Conversion of Energy III / Functional Materials I
Tuesday, March 10, 2026, 10:15–12:45, SCH/A216
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10:15 |
MM 12.1 |
Harmonising Symmetry and Spin: Unveiling Giant Rashba Splitting and Diverse Topological Phases in Composite Quantum Materials — •Arijeet Sarangi, Rajib Sarkar, and Sudip Chakraborty
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10:30 |
MM 12.2 |
TiO2 meets water: Band alignment and spectral properties for solar-driven catalysis using Koopmans spectral functionals — •Marija Stojkovic, Edward Linscott, and Nicola Marzari
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10:45 |
MM 12.3 |
Theoretical Calculation of Finite-Temperature X-Ray Absorption Fine Structure: Application to Sodium K-Edge in NaCl — Philipp Hönicke, Yves Kayser, and •Pouya Partovi-Azar
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11:00 |
MM 12.4 |
Spin-Charge Coupling at Mixed Fe/Cr Nodes Governs Optical Gaps in MIL-100 Photocatalysts — •Sabuhi Badalov, Patrick Länger, Jürgen Senker, and Harald Oberhofer
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11:15 |
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15 min. break
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11:30 |
MM 12.5 |
Beyond Ion Dynamics: Efficient Charge Transport Simulations including Electrons at Battery Scales — Matteo Rinaldi, Karsten Reuter, and •Christian Carbogno
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11:45 |
MM 12.6 |
Ion Transport in Mixed-Halide Lithium Argyrodites from Machine Learning Potentials — •Yufeng Xu, Takeru Miyagawa, Waldemar Kaiser, and David A. Egger
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12:00 |
MM 12.7 |
Positron Annihilation Studies of Nuclear and Highly Oriented Pyrolytic Graphite — •Jagoda Urban-Klaehn, Arvin Cunningham, and William Windes
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12:15 |
MM 12.8 |
Positron annihilation spectroscopy for atomic defects in functional materials — •Maciej Oskar Liedke, Eric Hirschmann, Jyoti Verma, Sebastian Klug, and Andreas Wagner
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12:30 |
MM 12.9 |
Operando X-ray Absorption Spectroscopy studies of the X-ray exposed active and passive fiber preforms and their recovery properties upon UV-laser light — •Ali KARATUTLU, Esra KENDIR TEKGÜL, Iremnur DURU, Timuçin Emre TABARU, Latif Ullah KHAN, Messaoud HARFOUCHE, and Bülend ORTAÇ
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