Improving hole injection into CsPbBr3 nanocrystal LEDs by ligand engineering
Roshini Jayabalan a, Girish Kakkepalaya Hanumantharaju a, Arup Sarkar b, Fengshuo Zu c, Theresa Hettiger d, Marcus Scheele d, Norbert Koch c e, Denis Adrienko b, Wolfgang Brütting a
a Institute of Physics, University of Augsburg, 86159 Augsburg, Germany
b Max Planck Institute for Polymer Research, 55128 Mainz, Germany
c Helmholtz-Zentrum Berlin for Materials und Energy GmbH, 12489 Berlin, Germany
d Institute of Physical und Theoretical Chemistry, University of Tübingen, 72076 Tübingen, Germany
e Institute of Physics & Center for the Science of Materials Berlin, Humboldt-Universität zu Berlin, 12489 Berlin, Germany
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
Illuminating the Future: Advancements in Photon sources, Photodetectors, and Photonic Applications with 3D and low- dimensional metal halide perovskites - #PhotoPero
Sevilla, Spain, 2025 March 3rd - 7th
Organizers: Emmanuelle Deleporte, Blas Garrido and Juan P. Martínez Pastor
Oral, Roshini Jayabalan, presentation 066
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.066
Publication date: 16th December 2024

The study on lead halide perovskite nanocrystal (LHP NC) light-emitting diodes (LEDs), despite their recent existence, has seen a substantial progress in the research community. With their significantly increased surface area, passivation of surface with appropriate ligands is crucial. While advances in stability and optical properties are outstanding, the electrical accessibility of NCs has gained less attention so far. Specifically, efficient electroluminescence in LEDs rely on a thorough comprehension of the influence of charge carrier injection into the emitting material1.

In this study, we investigate commercial cubic CsPbBr3 NCs passivated with oleyl amine/oleic acid (OLA/OA) and ligand-exchanged NCs with didodecyldimethylammonium bromide (DDABr). It is known that long capping ligands impede carrier injection, making them ineffective in LED fabrication2. Transmission electron microscopy (TEM) images after ligand exchange show a reduction in interparticle distance along with nuclear magnetic resonance (NMR) spectroscopy indicating minimal ligand coverage on ligand-exchanged particles. Improved carrier balance is observed in DDABr capped NCs and photoelectron spectroscopy reveals a reduction in hole injection barrier. Resulting LEDs fabricated with ligand exchanged NCs exhibit a higher and almost constant external quantum efficiency (EQE) at high current densities, indicating a better carrier balance3. Density functional theory (DFT) studies reveal the occurrence of trap states with excess OLA4, whereas a favorable bandgap shift is expected with DDABr capped NCs. These results suggest that the issue of LHP NCs in PeLED fabrication is not just the long insulating ligands alone; ligand coverage and the type of anchoring group is important as well. Thus, a deeper understanding of the interaction of the ligand attached on the NC surface is required.

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