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O: Fachverband Oberflächenphysik

O 45: Organic molecules on inorganic substrates: Adsorption and growth – Poster

O 45.3: Poster

Dienstag, 10. März 2026, 14:00–16:00, P2

Self-assembled quasi-one-dimensional metal-organic framework — Jonas Brandhoff, Jule S. Hölzer, Felix Otto, Torsten Fritz, and •Roman Forker — Institute of Solid State Physics, Friedrich Schiller University Jena, Helmholtzweg 5, 07743 Jena, Germany

We compare condensed monolayers of 4,5,9,10-pyrenetetrone (Py4O) on Cu(111) in two fundamentally different configurations, namely with and without adatoms. To this end, we employ density-functional theory (DFT) calculations to understand the structural configurations as well as the electronic properties. We uncover the coupling between the organic molecule, surface, and possible adatoms. Furthermore, we demonstrate how a quasi-one-dimensional arrangement including a Cu adatom is thermodynamically stable. This interpretation is substantiated by means of scanning-tunneling microscopy (STM) experiments, along with low-energy electron diffraction (LEED) patterns. Additionally, we use photoelectron spectroscopy to assess the electronic structure. Finally, we elucidate the bond formation between the d-orbitals of the Cu adatom and the p-orbitals of the molecular oxygen.

Keywords: Adatoms; Molecules; DFT; STM; PES