Autonomous multi-robot synthesis and optimization of metal halide perovskite nanocrystals

Abstract Metal halide perovskite (MHP) nanocrystals (NCs) offer extraordinary tunability in their optical properties, yet fully exploiting this potential is challenged by a vast and complex synthesis parameter space. Herein, we introduce Rainbow, a multi-robot self-driving laboratory that integrates...

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Main Authors: Jinge Xu, Christopher H. J. Moran, Arup Ghorai, Fazel Bateni, Jeffrey A. Bennett, Nikolai Mukhin, Koray Latif, Andrew Cahn, Pragyan Jha, Fernando Delgado Licona, Sina Sadeghi, Lior Politi, Milad Abolhasani
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-63209-4
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Summary:Abstract Metal halide perovskite (MHP) nanocrystals (NCs) offer extraordinary tunability in their optical properties, yet fully exploiting this potential is challenged by a vast and complex synthesis parameter space. Herein, we introduce Rainbow, a multi-robot self-driving laboratory that integrates automated NC synthesis, real-time characterization, and machine learning (ML)-driven decision-making to efficiently navigate MHP NCs’ mixed-variable high-dimensional landscape. Using parallelized, miniaturized batch reactors, robotic sample handling, and continuous spectroscopic feedback, Rainbow autonomously optimizes MHP NC optical performance—including photoluminescence quantum yield and emission linewidth at a targeted emission energy—through closed-loop experimentation. By systematically exploring varying ligand structures and precursor conditions, Rainbow elucidates critical structure–property relationships and identifies scalable Pareto-optimal formulations for targeted spectral outputs. Rainbow provides a versatile blueprint for accelerated, data-driven discovery and retrosynthesis of high-performance metal halide perovskite nanocrystals, facilitating the on-demand realization of next-generation photonic materials and technologies.
ISSN:2041-1723