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Supplementary videos of the PhD-Thesis "Understanding interfaces in metal-oxide/organic-acid hybrid materials from first-principles calculations"
Citation Link: https://doi.org/10.15480/336.3408
Type
Video
Date Issued
2021-03-31
Institute
TORE-URI
Abstract
This collection contains supplementary videos for the PhD-Thesis of Kai Sellschopp, titled "Understanding interfaces in metal-oxide/organic-acid hybrid materials from first-principles calculations". There are two sub-collections of videos. One holds animations of vibrational modes of formic acid adsorbed on magnetite (Fe3O4) surfaces. The other contains videos showing the structural evolution of titania (TiO2) / carboxylic-acid interfaces under tensile loading.
Subjects
density functional theory (DFT)
hybrid material
interfaces
magnetite
titania
DDC Class
620: Ingenieurwissenschaften
660: Technische Chemie
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a100+hda_+z_trajectory.mp4
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2.48 MB
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a100+hda-bd_+z_trajectory.mp4
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1.91 MB
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a001+hda_+z_trajectory.mp4
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2.75 MB
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m001bt+fa_tet_OCH_bend_1343.mp4
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5.01 MB
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m001scv+fa_tet_OCO_asym_in-phase_1525.mp4
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3.79 MB
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m111tet1+fa_qbd_OCO_bend_circ_728.mp4
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5.4 MB
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m111tet1+fa_qbd_OCO_asym_circ_1549.mp4
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5.28 MB
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m001bt+fa_tet_OCO_sym_1338.mp4
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5.25 MB
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m111tet1+fa_chel_OCO_asym_circ_1520.mp4
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4.73 MB
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a101+hda-db_+z_trajectory.mp4
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7.08 MB
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