Dresden 2020 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 109: Heterogeneous Catalysis on Metal Oxides

O 109.10: Vortrag

Donnerstag, 19. März 2020, 17:15–17:30, TRE Phy

X-ray standing waves reveal lack of OH-termination at hydroxylated ZnO(0001) surfaces — •Jens Niederhausen1,2, Antoni Franco-Cañellas3, Simon Erker4, Thorsten Schultz1,2, Katharina Broch3, Alexander Hinderhofer3, Steffen Duhm5, Pardeep K. Thakur6, David A. Duncan6, Alexander Gerlach3, Tien-Lin Lee6, Oliver T. Hofmann4, Frank Schreiber3, and Norbert Koch1,21Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Germany — 2Humboldt-Universität zu Berlin, Germany — 3Universität Tübingen, Germany — 4Graz University of Technology, Austria — 5Soochow University, China — 6Diamond Light Source, UK

The vertical adsorption distances of the planar conjugated organic molecule 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI) on hydroxylated ZnO(0001), determined with the X-ray standing wave technique (XSW), are at variance with adsorption geometries simulated with density functional theory for surface-structure models that employ terminating hydroxyl groups (OH). In contrast, good agreement is found for PTCDI in direct contact with the topmost Zn layer. The consequential assignment of OH to subsurface sites is supported by additional XSW and energy scanned photoelectron diffraction data and calls for a reconsideration of the prevalent surface models with important implications for the understanding of ZnO(0001) surfaces.

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