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Related Experiment Video

Updated: Jun 11, 2025

Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives

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Published on: February 7, 2017

Coalescence-induced shape transformations in Pd and AuPd clusters.

Diana Nelli¹, Edoardo Dighero¹, Riccardo Ferrando¹

¹Dipartimento di Fisica, Università di Genova, Via Dodecaneso 33, 16146 Genova, Italy. diana.nelli@edu.unige.it.

|October 7, 2024

Summary

This summary is machine-generated.

Molecular dynamics simulations reveal how gold-palladium (AuPd) nanoparticle structures change during coalescence. The final shape depends on the initial nanoparticle composition and atomic rearrangements during collision.

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Published on: June 20, 2019

Area of Science:

Materials Science
Nanotechnology
Computational Chemistry

Background:

Gold-palladium (AuPd) nanoalloys and pure palladium (Pd) clusters exhibit stable icosahedral and face-centered-cubic truncated octahedral structures.
Understanding nanoparticle coalescence is crucial for controlling the properties of nanomaterials.

Purpose of the Study:

To investigate the atomic mechanisms governing the coalescence of pure Pd and Pd-rich AuPd nanoparticles.
To determine how initial nanoparticle composition influences final structures after collision.

Main Methods:

Molecular dynamics simulations were employed to model the collision and coalescence of nanoparticles.
Specific initial structures, icosahedral and face-centered-cubic truncated octahedral, were simulated based on experimental stability data.

Main Results:

The final structure resulting from nanoparticle coalescence is strongly dependent on the composition of the colliding AuPd and Pd units.
Analysis revealed unique atomic rearrangements enabling the transformation between icosahedral and close-packed planar structures.

Conclusions:

The composition of colliding AuPd nanoparticles dictates the outcome of the coalescence process.
Specific atomic rearrangements facilitate structural transformations between distinct nanoparticle morphologies.