Polynuclear Complexation in Lead Halide Perovskite Solutions
Michael Toney a
a Department of Materials Science and Engineering, University of Colorado Boulder, Boulder, CO 80309, USA
Proceedings of MATSUS Fall 2025 Conference (MATSUSFall25)
A1 Halide Perovskites - Properties, Synthesis and Advanced Characterization - #PeroProp
València, Spain, 2025 October 20th - 24th
Organizers: Kunal Datta and Selina Olthof
Invited Speaker, Michael Toney, presentation 336
Publication date: 21st July 2025

Solvent engineering in metal halide perovskite (MHP) precursor inks is critical for controlling the perovskite thin film crystallization process. This coordination engineering approach is widely used to tune film structure and morphology, yet significant knowledge gaps exist regarding the solution-phase structures present in MHP inks, specifically the coordination chemistry of solvated polynuclear halodoplumbate complexes. Although various structures have been proposed in literature, the definitive nature of these halodoplumbate complex ions remains elusive. We develop a systematic framework to characterize and differentiate the various structural motifs present in these solution-phase complexes. Utilizing a comprehensive set of X-ray scattering and spectroscopy techniques, we have examined the representative structure of the solution-phase, identifying a spectrum of motifs from mononuclear to polynuclear. This deeper insight into MHP solution chemistry equips the scientific community with vital information to guide the strategic development of novel MHP chemistries through informed coordination engineering.

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