Do substrates matter? - the impact of hole transport layers on Iodide/Bromide composition in thermally evaporated mixed halide perovskites
Dilara Öz a, Dr. Selina Olthof a
a University of Cologne, Institute for Physical Chemistry, Luxemburgerstrasse 116, Köln, 50939, Germany
Oral, Dilara Öz, presentation 057
Publication date: 6th February 2024

In the quest for optimizing both the stability and efficiency of perovskite-based devices, the composition of the perovskite layer plays a crucial role. Typically, compositions with mixed A-site cations and mixed halides are employed to obtain optimal band gap and structural stability. While halide perovskite films are typically prepared using solution processing, the deposition by thermal evaporation is gaining attention due its ability to produce uniform and high quality films with precise control over thickness. This enables the investigation of ultrathin layers and the fabrication of large area thin film devices. However, in the case of thermal evaporation, controlling the co-evaporation of two or more precursor sources present significantly more challenges, compared to the more conventional solvent-based approaches.

Using thermal evaporation, we studied the incorporation of bromide into the FAPbI3 perovskite structure, which is necessary for fine-tuning the bandgap (1.48 - 2.3 eV), e.g. for the use in tandem solar cells. However, for evaporated FAPbI1Br2 perovskite films, we observed unexpected substrate effects which triggered the need for further investigations. In this work, we therefore systematically studied the influence of substrates, such as PTAA, NiOx, PEDOT:PSS, and the self-assembled monolayer MeO-2PACz on the composition and electronic structure of the mixed halide perovskite. Characterization techniques include surface sensitive techniques such as X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and reflection electron energy loss spectroscopy (REELS) – all of which show that the surface halogen composition is strongly affected by the choice of substrate. This is confirmed by bulk sensitive techniques such as X-ray diffraction (XRD) and UV-vis spectroscopy, confirming the surprising role the substrates play during thermal evaporation.

This investigation not only deepens our understanding of the interactions of substrates with perovskite materials but also holds important insights for advancing the development of thermal evaporation technique on high-performance perovskite-based devices.

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