X-ray standing waves reveal lack of OH termination at hydroxylated ZnO(0001) surfaces

Jens Niederhausen, Antoni Franco-Cañellas, Simon Erker, Thorsten Schultz, Katharina Broch, Alexander Hinderhofer, Steffen Duhm, Pardeep K. Thakur, David A. Duncan, Alexander Gerlach, Tien Lin Lee, Oliver T. Hofmann, Frank Schreiber, Norbert Koch

Publikation: Beitrag in einer FachzeitschriftArtikelBegutachtung


The vertical adsorption distances of the planar conjugated organic molecule 3,4,9,10-perylenetetracarboxylic diimide (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 consider terminating OH, whereas 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, independent 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.

FachzeitschriftPhysical Review Materials
PublikationsstatusVeröffentlicht - 28 Feb. 2020

ASJC Scopus subject areas

  • Werkstoffwissenschaften (insg.)
  • Physik und Astronomie (sonstige)


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