Berlin 2024 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 15: Organic Molecules on Inorganic Substrates II: Electronic, Optical and other Properties
O 15.4: Vortrag
Montag, 18. März 2024, 15:45–16:00, MA 043
Non-conductive NaCl films impact the charge configuration in a single molecule — •Moritz Frankerl1, Laerte Patera2,3, Thomas Frederiksen4, Jascha Repp3, and Andrea Donarini1 — 1Institute of Theoretical Physics, University of Regensburg — 2Institute of Physical Chemistry, University of Innsbruck — 3Institute of Experimental and Applied Physics, University of Regensburg — 4Donostia International Physics Center (DIPC), Spain
The utilization of non-conductive NaCl films allows the stabilization of multiple charge states on a single molecule [1]. Consequently, these films enable the observation of electronic transitions between distinct charge states by single-electron alternate-charging scanning tunneling microscopy (AC-STM) [2]. Specifically, when charging a copper-phthalocyanine (CuPc) molecule, the Jahn-Teller (JT) distortion induces a splitting of the degeneracy between the lowest unoccupied molecular orbitals (LUMOs). Notably, the AC-STM measurements reveal a double occupation of the same LUMO upon charging CuPc a second time. We show by DFT calculations complemented by a grouptheoretical analysis how the molecular electron-phonon coupling in gas phase is insufficient to explain this behavior. To address this, we propose a coupling between vibronic modes within the NaCl substrate and charges residing on the molecule. This proposition highlights the significant influence of the NaCl substrate on the electronic configuration of charged molecules, extending beyond charge stabilization. [1] Fatayer S. et al., Nature Nanotechnology 13, 376-380(2018) [2] Patera L.L. et al., Nature 566, 245-248(2019)
Keywords: Jahn-Teller distortion; Scanning probe microscopy; Single molecule; AC-STM