A Holistic Data-Driven Approach to Synthesis Predictions of Colloidal Nanocrystal Shapes.

ABSTRACT: The ability to precisely design colloidal nanocrystals (NCs) has far-reaching implications in optoelectronics, catalysis, biomedicine, and beyond. Achieving such control is generally based on a trial-and-error approach. Data-driven synthesis holds promise to advance both discovery and mechanistic knowledge. Herein, we contribute to advancing the current state of the art in the chemical synthesis of colloidal NCs by proposing a machine-learning toolbox that operates in a low-data regime, yet comprehensive of the most typical parameters relevant for colloidal NC synthesis. The developed toolbox predicts the NC shape given the reaction conditions and proposes reaction conditions given a target NC shape using Cu NCs as the model system. By classifying NC shapes on a continuous energy scale, we

SUBMITTER: Zaza L 

PROVIDER: S-EPMC11848920 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature