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O: Fachverband Oberflächenphysik
O 13: Organic Molecules on Inorganic Substrates: Adsorption and Growth
O 13.1: Vortrag
Montag, 17. März 2025, 15:00–15:15, H8
Identical Fe-N4 Sites with Different Reactivity: Elucidating the Effect of Support Curvature — •Dominik Hrůza1, Zdeněk Jakub1, Jakub Planer1, Azin Shahsavar1, Jiří Pavelec2, and Jan Čechal1,3 — 1CEITEC - Central European Institute of Technology, Brno University of Technology, Czech Republic — 2Institute of Applied Physics, TU Wien, Vienna, Austria — 3Faculty of Mechanical Engineering, Brno University of Technology, Czech Republic
Understanding the atomic-scale mechanisms of single-atom catalysts (SACs) is pivotal for advancing their design and application. Using a 2D metal-organic framework (MOF) featuring Fe-N4 sites on a graphene/Ir(111) support, we uncover how the curvature of an inert substrate can significantly influence adsorption properties. We show that a 0.4 Å corrugation induced by the inert graphene/Ir(111) moiré leads to pronounced variations in adsorption energy of TCNQ (tetracyanoquinodimethane) molecules adsorbed on the 2D MOF. Molecules adsorbed above the "valleys" of the graphene/Ir moiré exhibit binding energies significantly stronger than those above the "hills," resulting in a temperature stability difference of over 60 °C. Our findings based on STM and DFT highlight those small structural distortions in SAC structure can profoundly impact the adsorption properties.
Keywords: Single-Atom Catalysis; 2D Metal-Organic Frameworks; Adsorption; Scanning Tunneling Microscopy