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Related Experiment Video

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Nanoscale Effects on Phase Separation.

Juan-Pedro Palomares-Baez1, Emanuele Panizon1, Riccardo Ferrando2,3

  • 1Dipartimento di Fisica, Università di Genova , Via Dodecaneso 33, Genova, I16146, Italy.

Nano Letters
|August 12, 2017
PubMed
Summary
This summary is machine-generated.

Nanoalloys like gold-cobalt (AuCo) remain phase-separated at the nanoscale, contrary to classical theories. Preferred nucleation sites in nanoparticles lower the energy cost for separation, eliminating a critical miscibility size.

Keywords:
Nanoalloyscobaltgoldnanothermodynamicssimulations

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Nanoscience

Background:

  • Classical nucleation theory suggests immiscible bulk systems become miscible at the nanoscale below a critical size.
  • Experimental studies on gold-cobalt (AuCo) nanoalloys show diverse configurations, including both phase-separated and intermixed states, challenging theoretical predictions.

Purpose of the Study:

  • To investigate the miscibility of nanoalloys, specifically AuCo, at the nanoscale.
  • To develop a statistical-mechanics approach for calculating the free energy cost of phase-separated aggregates in nanoalloys.
  • To determine if a critical size exists below which phase separation is impossible in nanoalloys.

Main Methods:

  • Employed a combination of ab initio and atomistic calculations.
  • Developed a statistical-mechanics model to compute the free energy of forming phase-separated nanoalloy aggregates.
  • Applied the model to the AuCo nanoalloy system.

Main Results:

  • Calculations indicate the persistence of an equilibrium miscibility gap down to the nanoscale for AuCo nanoalloys.
  • The study found no evidence of a critical size below which phase separation is impossible.
  • Nanoscale effects, specifically preferred nucleation sites, significantly reduce the free-energy cost for phase separation compared to bulk systems.

Conclusions:

  • The miscibility behavior of nanoalloys deviates from classical nucleation theory predictions.
  • Nanoparticle-specific effects, like nucleation sites, are crucial for understanding phase separation in nanoalloys.
  • AuCo nanoalloys exhibit stable phase separation at the nanoscale due to these effects.