Presentation Details
| Toward Defect-Engineered Photovoltaic Devices: Insight Into Combined Theoretical And Experimental Approach For Transparent Hole Collector / Active Organic Layer Interface Creation Aleksandra Tomaszowska1, Paulina Powroznik1, Aleksandra Przybyla1, Yuri Ardesi2, Fabrizio Mo2, 4, Gianluca Piccinini2, Mariagrazia Graziano33, Maciej Krzywiecki1. 1Institute of Physics – CSE, Silesian University of Technology, Gliwice, Poland.2Department of Electronics and Telecommunications of Politecnico di Torino, Turin, Italy.3Department of Applied Science and Technology of Politecnico di Torino, Turin, Italy.4National Institute for Metrological Research (INRiM), Turin, Italy |
Abstract
Energy-level alignment at oxide/organic interfaces controls charge selectivity in hybrid photovoltaics but is strongly affected by intrinsic defects. In current work, the SnO2/TiOPc interface is investigated using combined photoelectron spectroscopy and first-principles calculations to elucidate the role of oxygen-vacancy-driven electronic states. X-ray and UV photoelectron spectroswcopies reveal thickness-dependent core-level shifts, non-rigid valence-band realignment, and interface formation without strong chemical bonding, as well as a split HOMO onset at high TiOPc thickness. DFT calculations identify vacancy-induced donor states in SnO2 and net charge transfer to the TiOPc macrocycle, localized at the interface and involving carbon and nitrogen atoms while leaving the titanium center unchanged. An interface-specific energy-level diagram is proposed, demonstrating defect engineering as a quantitative strategy for designing transparent, charge-selective contacts in organic and hybrid photovoltaic devices.
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