Computer Simulation of the Formation Process of Cu-Au Nanoparticles by Condensation

Abstract:

The computer simulation method was used to examine condensation of 90124 Cu and Au atoms from the gas phase. To analyze the synthesis processes, there were selected chemical compositions Cu₃Au, Cu-Au, Cu₉₀Au₁₀ and Cu₆₀Au₄₀ being cooled with liquid nitrogen during the condensation. The undertaken simulation showed that the increase in the percentage of gold atoms in the initial couple decreases the number of clusters of a relatively large size. Moreover, the analysis of the external view and the structure of Cu-Au nanoparticles of various chemical composition allowed us to conclude that a large number of binary nanoparticles were of an icosahedral structure.

• Periodical: Solid State Phenomena (Volume 310)
• Pages: 96-100
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.310.96
• Online since: September 2020
• Authors: Yuri Ya Gafner, Svetlana L. Gafner*, Andrey V. Nomoev
• Keywords: Computer Simulation, Copper, Functional Materials, Gold, Molecular Dynamics, Nanoparticles, Tight-Binding

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