Autonomous Synthesis of Nanoparticles with Target Scattering Patterns
Andy S. Anker, Jonas H. Jensen, Miguel González-Duque, Rodrigo Moreno, Aleksandra Smolska, Mikkel Juelsholt, Vincent Hardion, Mads R. V. Jørgensen, Andrés Faíña, Jonathan Quinson, Kasper Støy, Tejs Vegge
TL;DR
This paper introduces an autonomous method for synthesizing nanoparticles with specific atomic structures by targeting scattering patterns, reducing reliance on trial-and-error methods.
Contribution
The novel contribution is an autonomous synthesis approach that uses scattering patterns to design nanoparticle structures without requiring prior synthesis knowledge.
Findings
The method successfully targets and synthesizes gold nanoparticles with specific atomic structures (5 nm decahedral and 10 nm face-centered cubic).
Real-time experimental scattering data is matched to simulated patterns to autonomously design synthesis protocols.
The approach provides a generalizable blueprint for on-demand atomic structure-informed materials design.
Abstract
Controlled synthesis of materials with specified atomic structures underpins technological advances yet remains reliant on iterative, trial-and-error approaches. Nanoparticles (NPs), whose atomic arrangement dictates their emergent properties,1–5 are particularly challenging to synthesize due to numerous tunable parameters. Here, we introduce an autonomous approach that explicitly targets atomic-scale structure through scattering patterns. Our method autonomously designs synthesis protocols by matching real-time experimental total scattering (TS) and pair distribution function (PDF) data to simulated target patterns, without requiring embedded synthesis knowledge. We demonstrate this capability at a synchrotron by targeting two structurally distinct gold NP scattering patterns: 5 nm decahedral and 10 nm face-centered cubic structures. Ultimately, specifying target scattering patterns…
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Taxonomy
TopicsMachine Learning in Materials Science · Gold and Silver Nanoparticles Synthesis and Applications · Block Copolymer Self-Assembly