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MM: Fachverband Metall- und Materialphysik

MM 14: Liquid and Amorphous Materials I

MM 14.2: Vortrag

Dienstag, 10. März 2026, 11:45–12:00, SCH/A315

Reactive Edges and Inevitable Adsorption in Carbon Nanomembranes — •Levin Mihlan¹, Filip Vuković², Andrei Postnikov³, Verena Müller⁴, and Jürgen Schnack¹ — ¹Universität Bielefeld, Germany — ²TU Wien, Austria — ³Université de Lorraine, France — ⁴Friedrich-Schiller-Universität, Germany

Carbon nanomembranes (CNMs) are nanometer-thin materials synthesized via electron-induced crosslinking of aromatic self-assembled monolayers. These membranes can be functionalized for various applications, initially serving as molecular filters. In addition to their internal structure, the precise elemental composition is not yet fully understood [1]. Therefore a first-order prediction for ultraviolet photoelectron spectroscopy (UPS) was developed based on DFT-calculated densities of state. Combined with theoretical carbon-only CNM model structures and an analysis of the near-zero binding-energy region, this approach enables statements regarding the saturation of different regions as well as the presence of reactive edges and dangling bonds. Since these regions are highly unstable under ambient conditions, physisorption and chemisorption of elements such as hydrogen and oxygen are to be expected. In this work, various CNM model structures are systematically investigated using this methodology, ultimately supporting the presence of such depositions, provided that other observations are valid.

[1] Dementyev, Petr, et al. "Carbon Nanomembranes from Aromatic Carboxylate Precursors" ChemPhysChem 21.10 (2020): 1006

Keywords: Carbon Nanomembrane; DFT; UPS; Density of States; reactive edges