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HL: Fachverband Halbleiterphysik
HL 13: Poster I
HL 13.54: Poster
Montag, 18. März 2024, 15:00–18:00, Poster E
Investigating Performance Limiting Recombination of Perovskite/C60 Interfaces using First Principle Calculations — •Richard Gundermann1, Felix Lang1, Christopher Penschke2, Peter Saalfrank2, Filippo De Angelis3, and Dieter Neher1 — 1Institute of Physics and Astronomy, University of Potsdam, Germany — 2Institute of Chemistry, University of Potsdam, Germany — 3Department of Chemistry, Biology and Biotechnology, University of Perugia, Italy
Perovskite semiconductors became an interesting field to overcome the limitations of standard silicon based photovoltaic (PV) technologies. However, it is shown that performance-limitations are largely caused by significant nonradiative recombination at the perovskite/organic electron transport layer junctions. Especially the extensively used perovskite/C60 junctions appear to have a reduction in PLQY within the first 1nm of C60, which indicates nonradiative across-interface recombinations [1]. In this work, we investigate for the origin of these recombinations, e.g., packing faults in the first C60 layer or inhomogeneous electrostatics. Also, electron-transfer-rates are discussed. Therefore, we use DFT calculations, including structure optimization of a perovskite/C60 supercell. For reduced computational effort we also investigate for empirical Tight-Binding-Models to access heterostructure-modeling and features as transport properties.
[1] Warby, J. et al., Understanding Performance Limiting Interfacial Recombination in pin Perovskite Solar Cells. Adv. Energy Mater. 2022, 12, 2103567. https://doi.org/10.1002/aenm.202103567
Keywords: Solar Cells; Perovskites; DFT; Tight-Binding