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Updated: Sep 14, 2025

Atomically Traceable Nanostructure Fabrication
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Synthesis planning for atomically precise metal nanoclusters.

Jingkuan Lyu1,2, Jing Qian1,2, Zhucheng Yang1,2

  • 1Joint School of National University of Singapore and Tianjin University, International Campus of Tianjin University, Fuzhou 350207, P. R. China. chexiej@nus.edu.sg.

Nanoscale Horizons
|July 23, 2025
PubMed
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This summary is machine-generated.

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This perspective introduces a three-stage framework for the rational design and synthesis of metal nanoclusters (MNCs). It highlights machine learning and high-throughput experimentation to overcome MNC complexity and accelerate development.

Area of Science:

  • Advanced Materials Science
  • Nanotechnology
  • Chemical Synthesis

Background:

  • Metal nanoclusters (MNCs) offer atomic precision and molecule-like properties, enabling diverse applications in catalysis and biomedicine.
  • Tailoring MNC properties requires systematic approaches to design and synthesis.

Purpose of the Study:

  • To present a comprehensive synthesis planning framework for the rational design and synthesis of metal nanoclusters (MNCs).
  • To emphasize the role of core and ligand shell engineering, synthetic methods, and condition optimization.
  • To explore the potential of machine learning and high-throughput experimentation in addressing MNC synthesis challenges.

Main Methods:

  • A three-stage framework: target design, route development, and condition optimization.

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  • Focus on thiolate-protected gold nanoclusters as exemplary systems.
  • Discussion of core and ligand shell engineering strategies.

    • Main Results:

    • The framework provides a systematic methodology for MNC development.
    • Challenges in MNC synthesis due to structural and synthetic complexity persist.
    • Machine learning and high-throughput experimentation show promise for accelerating MNC development.

    Conclusions:

    • A structured synthesis planning approach, enhanced by data-driven methods, is advocated for accelerating rational MNC design and synthesis.
    • Integration of advanced computational and experimental techniques is crucial for future MNC development.