Berlin 2018 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 27: Poster Session I

MM 27.13: Poster

Dienstag, 13. März 2018, 18:30–19:45, Poster E

Hydrogen induced defects in the palladium/rutile titanium dioxide model system — •Marian David Bongers¹, Mohsen Sotoudeh³, Vladimir Roddatis¹, Carsten Nowak¹, Martin Wenderoth², Peter Blöchl³, and Astrid Pundt¹ — ¹Institut für Materialphysik, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany — ²IV. Physikalischen Institut, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany — ³Institute for Theoretical Physics, Clausthal University of Technology, Leibnizstr. 10, 38678 Clausthal-Zellerfeld, Germany

The Pd/TiO₂ system is used in a range of applications where in particular the interaction with H is of interest. An insight into the basic interaction of H with the Pd/TiO₂ model system can yield to a fundamental understanding of the property-microstructure relations. We use in-situ environmental transmission electron microscopy (ETEM) and electron energy loss spectroscopy (EELS) on cross-sectional Pd/TiO₂ lamella focusing on the interface vicinity. The EELS studies show a small change of the Ti L edge signal in the 2 nm close vicinity of the interface, for H gas pressures of about 10 Pa. These changes are attributed to a shift in the density of states by about 1 eV, in the presence of H. This is supported by projector augmented wave code simulations using the local hybrid density functional PBE0r [1]. We suggest substitutional H to be the dominant H induced defect in bulk and nearby the interface. This work is supported by the Deutsche Forschungsgemeinschaft via SFB1073, project C06 and C03 as well via the Heisenberg grant PU131/9-2. [1] M. Sotoudeh, M. Bongers, et al., submitted