Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 35: Poster Session I (Metal, semiconductor and oxide substrates: structure and adsorbates; Graphene)
O 35.52: Poster
Dienstag, 12. März 2013, 18:15–21:45, Poster B1
The role of the anchoring ligand BINA to the binding of the N3 dye on TiO2 anatase (101) — •C. Dette1, C. S. Kley1, S. Jung1, G. Rinke1, J. Cechal1, S. Rauschenbach1, C. Patrick3, F. Giustino3, S. Stepanow1, and K. Kern1,2 — 1Max Planck Institute for Solid State Research, Stuttgart, Germany — 2École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland; — 3University of Oxford, Department of Materials, Oxford, United Kingdom
The rapid increase of power consumption demands new sustainable and low-cost energy sources like dye-sensitized solar cells (DSSCs) in which a layer of dyes is adsorbed on a mesoporous TiO2 film. Even though a lot of work has been dedicated to DSSCs, the adsorption and electronic properties of a single dye molecule and the TiO2 surface remain unclear. Since the adsorption of the dye molecules is determined by the anchoring ligand group, the adsorption geometry and electronic properties of these ligand groups are of crucial importance. Here, we study the properties of N3 dye anchoring ligand BINA (bi-isonicotinic acid) on the TiO2 anatase (101) surface by means of scanning tunneling microscopy and spectroscopy methods in ultra high vacuum. We present different adsorption geometries consistent with first-principle density functional theory based calculations and the corresponding electronic properties. In addition, we discuss the influence of the different binding geometries of the ligand BINA to the N3 dye molecule which shows variable adsorption geometries in contrast to theoretical predictions suggesting only one specific thermodynamically stable N3 adsorption configuration.