Dresden 2026 – scientific programme

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O: Fachverband Oberflächenphysik

O 69: Nanostructures at surfaces:1D, 2D, networks – Poster

O 69.2: Poster

Wednesday, March 11, 2026, 18:00–20:00, P2

Examining the character of coordination bonding in two-dimensional MOFs by photoemission tomography — •Dominik Brandstetter¹, Simone Mearini², Andreas Windischbacher¹, Yan Yan Grisan Qiu², Daniel Baranowski^2,3, Vitaliy Feyer^2,4, Claus Micheal Schneider^2,4,5, and Peter Puschnig¹ — ¹University of Graz, Graz, Austria — ²Jülich Research Centre, Jülich, Germany — ³Present address: Pacific Northwest National Laboratory, Richland WA, USA — ⁴University of Duisburg-Essen, Duisburg, Germany — ⁵UC Davis, Davis CA, USA

We investigate the nature of the coordination bonds in 2D MOFs by examining a well-ordered nickel tetracyanoquinodimethane (Ni-TCNQ) monolayer on a Ag(100) substrate. Notably, photoemission data shows a splitting of the valence band into bonding and anti-bonding states, resulting from the interaction between the Ni d-states and the ligand orbitals. By making use of the energy-resolved photoemission momentum maps, we are able unambiguously reveal signatures of covalent bonding between the organic ligands and the transition metal d-states by identifying fingerprints of the involved orbitals in momentum space. These hybridized states are crucial in understanding the MOF's electronic structure, which is a determining factor for their electronic and magnetic properties. Our results are concrete evidence of the covalent character within 2D MOFs, offering a deeper understanding of their fundamental electronic properties.

Keywords: metal-organic frameworks; photoemissionorbital tomography; photoelectron spectroscopy; metal-organic bond; hybridisation