O 12: Poster Session I: Electronic structure theory: General
Monday, March 1, 2021, 10:30–12:30, P
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10:30 |
O 12.1 |
Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory — •Holger-Dietrich Saßnick and Caterina Cocchi
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10:30 |
O 12.2 |
Solvated Electrons in Alkali Metal Doped Zeolites: Insights from Ab-initio Atomistic Thermodynamics — •Debalaya Sarker, Maria Troppenz, Santiago Rigamonti, Claudia Draxl, Sergey V Levchenko, and Matthias Scheffler
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10:30 |
O 12.3 |
Hole mobility response through gas adsorption at the inner surface of the iron (1,2,3)-triazolate metal-organic framework — •Christoph Muschielok, Alexander Reiner, Richard Röss-Ohlenroth, Andreas Kalytta-Mewes, Dirk Volkmer, Achim Wixforth, and Harald Oberhofer
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10:30 |
O 12.4 |
First-Principles Study of Lead-free Halide Double Perovskites for Photovoltaic Applications — •Elisabetta Landini, Harald Oberhofer, and Karsten Reuter
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10:30 |
O 12.5 |
Electronic Structure of Self-assembly Crystalline Perylene in Metal-Organic Frameworks Thin Film — •Yohanes Pramudya, Mariana Kozlowska, Shahriar Heidrich, Marius Jakoby, Liuyang Pan, Bryce Richard, Christof Wöll, Ritesh Haldar, and Wolfgang Wenzel
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10:30 |
O 12.6 |
Optical and X-ray absorption spectra of oxides: Theoretical description including many-body effects — •Vijaya Begum, Markus E. Gruner, Christian Vorwerk, Claudia Draxl, and Rossitza Pentcheva
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10:30 |
O 12.7 |
The contribution has been withdrawn.
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