Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 66: Oxide Surfaces II
O 66.1: Vortrag
Donnerstag, 14. März 2013, 10:30–10:45, H42
Atomic-scale insights into geometrical and electronic properties of the N3 dye on TiO2 anatase (101) — •C. S. Kley1, C. Dette1, S. J. Jung1, G. Rinke1, J. Cechal1, S. Rauschenbach1, C. Patrick2, F. Giustino2, S. Stepanow1, and K. Kern1,3 — 1MPI for Solid State Research, Stuttgart, DE — 2University of Oxford, Department of Materials, Oxford, UK — 3EPFL, Institut de Physique de la Matiere Condensee, Lausanne, CH
Dye-sensitized solar cells (DSSCs) constitute a promising approach to sustainable and low-cost energy production with considerable light conversion efficiencies. Among many efforts, the understanding of the dye adsorption geometry, its electronic alignment and mutual lateral interaction is of paramount importance to optimize the photovoltaic performance of DSSCs. Here, we study the geometric and electronic properties of N3 dye molecules on the TiO2 anatase (101) surface by means of scanning tunneling microscopy and spectroscopy methods in UHV. Electrospray ion beam deposition is employed to deposit the thermally fragile photosensitizer onto the substrate. In contrast to theoretical predictions suggesting a specific thermodynamically most stable N3 adsorption configuration, our studies reveal variable N3 adsorption geometries on the TiO2 anatase (101) surface. The role of kinetics, photosensitizer ionization and substrate defects will be discussed and additional studies of the N3 anchor ligand BINA will be correlated to our findings. Further, the electronic configuration of the adsorbed N3 molecules will be presented. Our experimental results are supported by first-principle DFT based calculations.