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Thermodynamic stability of ligand-protected metal nanoclusters

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  • Michael G. Taylor

    (University of Pittsburgh)

  • Giannis Mpourmpakis

    (University of Pittsburgh)

Abstract

Despite the great advances in synthesis and structural determination of atomically precise, thiolate-protected metal nanoclusters, our understanding of the driving forces for their colloidal stabilization is very limited. Currently there is a lack of models able to describe the thermodynamic stability of these ‘magic-number’ colloidal nanoclusters as a function of their atomic-level structural characteristics. Herein, we introduce the thermodynamic stability theory, derived from first principles, which is able to address stability of thiolate-protected metal nanoclusters as a function of the number of metal core atoms and thiolates on the nanocluster shell. Surprisingly, we reveal a fine energy balance between the core cohesive energy and the shell-to-core binding energy that appears to drive nanocluster stabilization. Our theory applies to both charged and neutral systems and captures a large number of experimental observations. Importantly, it opens new avenues for accelerating the discovery of stable, atomically precise, colloidal metal nanoclusters.

Suggested Citation

  • Michael G. Taylor & Giannis Mpourmpakis, 2017. "Thermodynamic stability of ligand-protected metal nanoclusters," Nature Communications, Nature, vol. 8(1), pages 1-8, December.
  • Handle: RePEc:nat:natcom:v:8:y:2017:i:1:d:10.1038_ncomms15988
    DOI: 10.1038/ncomms15988
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    Cited by:

    1. Ani Baghdasaryan & Feifei Wang & Fuqiang Ren & Zhuoran Ma & Jiachen Li & Xueting Zhou & Lilit Grigoryan & Chun Xu & Hongjie Dai, 2022. "Phosphorylcholine-conjugated gold-molecular clusters improve signal for Lymph Node NIR-II fluorescence imaging in preclinical cancer models," Nature Communications, Nature, vol. 13(1), pages 1-11, December.

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