Regensburg 2022 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 5: Organic Molecules at Surfaces 1: Substrate Effects
O 5.2: Vortrag
Montag, 5. September 2022, 11:00–11:15, S051
Emergence of a singly-occupied state of p-terphenyl-based thiols bound to sulphur defects on MoS2/Au(111) — •J. Rika Simon1, Dmitrii Maksimov2, Juan Pablo Guerrero Felipe1, Paul Wiechers1, Christian Lotze1, Ana M. Valencia3,4, Caterina Cocchi3,4, Björn Kobin4, Stefan Hecht4, Mariana Rossi2, and Katharina J. Franke1 — 1Freie Universität Berlin, Germany — 2MPI for the Structure and Dynamics of Matter, Hamburg, Germany — 3Carl von Ossietzky Universität Oldenburg, Germany — 4Humboldt-Universität zu Berlin, Germany
The combination of transition-metal dichalcogenides (TMDCs) and organic molecules into hybrid inorganic-organic systems is a field gathering much interest in recent years. The use of submonolayers of the TMDC MoS2 as a decoupling layer in an STM junction is already well established and allows highly resolved dI/dV spectra. But 2D materials also have drawbacks: Their properties are highly dependent on their local structure, because defects influence their properties severely. Here we utilise these defects by anchoring the thiol-based molecule CF3-3P-SH (trifluoromethyl-p-terphenyl-thiol) into purposely created top-layer sulphur point defects in MoS2 on Au(111). One end-group of the anchored molecule is bound to the defect, allowing it to rotate around the anchoring point. On such molecules we observe a Kondo resonance. Ab initio molecular dynamics simulations show the emergence of a singly-occupied molecular state near EF depending on the configuration of the molecule with respect to the surface, which in turn gives rise to the observed Kondo resonance.