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Regensburg 2022 – scientific programme

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O: Fachverband Oberflächenphysik

O 28: Organic Molecules at Surfaces 3: Theory

Tuesday, September 6, 2022, 10:30–12:45, S051

10:30 O 28.1 Switchable interfaces based on bistable molecules: tetrachloropyrazine on Pt(111) — •Lukas Hörmann, Andreas Jeindl, and Oliver T. Hofmann
10:45 O 28.2 Substrate enhanced Jahn-Teller effect in single molecule junctions — •Moritz Frankerl, Laerte Patera, Thomas Frederiksen, Jascha Repp, and Andrea Donarini
11:00 O 28.3 Impact of electron-phonon interaction on metal-organic interface states — •Lukas Eschmann, Jan Neuendorf, and Michael Rohlfing
11:15 O 28.4 X-ray spectroscopic fingerprints of chemical bonding at molecule-metal interfaces revealed by first-principles core-level simulation — •Samuel J. Hall, Benedikt P. Klein, and Reinhard J. Maurer
11:30 O 28.5 The sensitivity of NMR chemical shifts to organic/inorganic interfaces — •Viviana Piccinni, Emmanouil Veroutis, Karsten Reuter, Josef Granwehr, and Christoph Scheurer
11:45 O 28.6 Classifying Chiral Structure by a Convolutional Neural Network — •Peer Kasten, Mandy Stritzke, Johannes Tim Seifert, Björn Möller, Timo de Wolff, Tim Fingscheidt, and Uta Schlickum
12:00 O 28.7 Energy landscaping with external electric fields: Selective stabilization of interface polymorphs — •Johannes Cartus, Andreas Jeindl, Anna Werkovits, and Oliver Hofmann
12:15 O 28.8 Interlayer orbital overlap governing thin-film geometry: the role of interfacial charge transfer — •Fabio Calcinelli, Andreas Jeindl, Lukas Hörmann, and Oliver Hofmann
12:30 O 28.9 Polymorph trapping by optimized deposition conditions: A first-principles prediction for TCNE/Cu(111) — •Anna Werkovits, Andreas Jeindl, Lukas Hörmann, Johannes J. Cartus, and Oliver T. Hofmann
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