Multifunctional Ligands for Lead Halide Perovskite Nanocrystals: Phase Stabilization and Charge Extraction
Tara Sverko a, Angeline Dibb a, Nicolas Borter a, Jack Ploof a, Alia Adennoun a, Viktoriia Morad a
a Rowland Institute, Harvard University, US
Poster, Tara Sverko, 118
Publication date: 22nd October 2026

At the nanoscale, the surface gains outsize significance. When materials are small enough, a majority of their atoms are exposed at the surface, making them reactive and sensitive to the environment. In colloidal semiconductor nanocrystals, this reactivity can be exploited to extract photogenerated charges for catalysis or  artificial photosynthesis. Lead halide perovskite nanocrystals (LHP NCs) are a class of remarkably versatile colloidal quantum dots (QDs), processable in solution under mild conditions and highly tuneable by composition, morphology, and size. LHP NCs are known for their defect tolerance, a result of their labile, ionic lattice. While optically beneficial, this lability has consequences for their colloidal stability. To use LHP NCs for charge extraction, we must balance stabilization of the particles in solution with charge separation. We design a ligand with binding modes for best particle stabilization and moieties that can hybridize to the QD electronic states. We synthesize hole-extracting zwitterionic ligands as proof of principle that ligands can simultaneously stabilize LHP NCs while freeing photogenerated charges, taking a step towards their use in catalysis or artificial photosynthesis.

We present a first step towards accessing photogenerated charges in LHP NCs via a sacrificial moiety on a zwitterionic ligand. While extraction is hampered by ligand decomposition, we show near-total quenching of photoluminescence accompanied by an 83% charge transfer into the ligand. Future steps include stabilizing the hole-scavenging moiety, extending charge delocalization into the ligand tail, and extracting the electron as well as the hole. Careful ligand design can open the door to LHP use in polar solvents and dilute conditions, as well as charge extraction and manipulation for applications such as catalysis, artificial photosynthesis, and devices.

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