Influence of Ligands on p-Doping of CsPbBr3 Nanocrystals
Theresa Hettiger a, Jonas Hiller a, Roshini Jayabalan b, Arup Sarkar c, Martin Eberle a, Richard Hodak a, Denis Andrienko c, Wolfgang Brütting b, Marcus Scheele a
a Institute for Physical und Theoretical Chemistry, Universität Tübingen, 72076 Tübingen, Germany
b Institute of Physics, University of Augsburg, 86159 Augsburg, Germany
c Max Planck Institute for Polymer Research, 55128 Mainz, Germany
Proceedings of Perovskite Semiconductors: From Fundamental Properties to Devices (PerFunPro)
Konstanz, Germany, 2025 September 8th - 10th
Organizers: Lukas Schmidt-Mende, Vladimir Dyakonov and Selina Olthof
Oral, Theresa Hettiger, presentation 012
Publication date: 16th July 2025

Lead halide perovskite nanocrystals (NCs) play an important role in future devices since they show a high photoluminescence quantum yield, defect tolerance, and color tunability by their halide composition. These properties can be used in light emitting diodes (LEDs). A current challenge in building efficient LEDs from NCs is their long-term stability and charge carrier imbalance. The effect of charging of NCs can be studied by spectroelectrochemistry (SEC). In combination with photoluminescence (PL), the method allows for precise determination of the valence and conduction band position, the effect of charging on the emission wavelength, and thus decomposition processes can be observed directly.

In this work, we explore p-doping of CsPbBr3 NCs. First, we investigate the effect of the ligand shell on the electronic structure of the NCs by using different binding motives and different electronic functionalities, e.g. by introducing dipole moments to the surface.[1] In both cases, the absolute band edge position is determined by SEC PL and conclusions are drawn for building LEDs, especially determining the barrier to the hole transport layer.

Second, we present for the first time SEC PL on supercrystals of self-assembled NCs. Supercrystals may find applications as micro-LEDs due to their propensity to exhibit superfluorescence. We monitor the spatially resolved PL of individual supercrystals depending on the applied potential, and we derive how this influences the emission wavelength at different positions of the supercrystal. From this, we can directly observe the start of degradation and the self-repairing in the center.

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