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O: Fachverband Oberflächenphysik

O 35: Organic molecules on inorganic substrates: Adsorption and growth II

O 35.5: Vortrag

Dienstag, 10. März 2026, 11:30–11:45, HSZ/0401

TPD Studies on LOHC-relevant Cycloalkanes and Aromatics on Au(111) — •Kassandra Zoltner, Leonard Neuhaus, Stefan R. Kachel, and J. Michael Gottfried — Fachbereich Chemie and mar.quest, Philipps-Universität Marburg, Germany

Liquid organic hydrogen carriers (LOHCs), such as the decalin/tetralin pair, are promising compounds for hydrogen storage, yet their (de)hydrogenation cycles are limited by catalyst-induced side reactions. In this context, molecule–surface interactions fundamentally determine adsorption strength and reactivity, thereby controlling catalytic selectivity and activity. This work presents surface analytical studies using temperature-programmed desorption (TPD) to investigate the desorption kinetics and energetics of decalin, perhydroazulene, and (partially) dehydrogenated analogues on Au(111). The study focuses on how the degree of hydrogenation, structural motifs including ring connectivity, and configurational isomerism as well as electronic properties influence substrate and intermolecular interaction strengths. The results reveal distinct differences in desorption characteristics: aromatic molecules (naphthalene, azulene, tetralin) exhibit stronger adsorption to the metal substrate and repulsive intermolecular interactions, arising from their π-electron system, whereas saturated hydrocarbons (decalin, perhydroazulene) show weaker substrate binding and intermolecular attraction. The findings provide molecular-level insights into LOHC adsorption properties on metal surfaces and contribute to the development of improved hydrogen storage–catalysis systems.

Keywords: TPD; Liquid Organic Hydrogen Carriers; Organic-Metal Interactions; Adsorption; Intermolecular Interaction