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Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design.

Anna L Gould^1,2, Kevin Rossi³, C Richard A Catlow^1,2,4

¹University College London , Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, United Kingdom.

The Journal of Physical Chemistry Letters

|November 4, 2016

Summary

This summary is machine-generated.

Researchers explored how to control energy barriers in silver-gold (AgAu) nanoparticles through chemical design. Tailoring elemental composition and arrangement, like core@shell structures, influences these barriers, impacting nanoparticle behavior for catalysis and plasmonics.

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Area of Science:

Nanotechnology
Materials Science
Computational Chemistry

Background:

Silver-gold (AgAu) nanoparticles exhibit diverse structural motifs.
Understanding transitional pathways is crucial for controlling nanoparticle properties.

Purpose of the Study:

To investigate transitional pathways between high-symmetry AgAu nanoparticle structures.
To demonstrate control over energetic barriers via chemical design.

Main Methods:

Computational modeling of AgAu nanoparticle structural transitions.
Analysis of potential and free energy landscapes.
Focus on elemental composition and arrangement effects.

Main Results:

Energetic barriers are tunable by controlling AgAu nanoparticle composition and arrangement.
Core@shell and vertex-decorated structures significantly influence barrier heights.
Low-symmetry motifs can be energetically competitive, leading to complex transition pathways.

Conclusions:

Bespoke nanoparticle design can be achieved by manipulating transition pathways.
Findings have implications for designing AgAu nanoparticles for catalytic and plasmonic applications.