Abstract

Currently, bimetallic nanoparticles have been widely used in various fields of nanotechnology, but the main area of their application continues to be the catalysis of chemical reactions. However, it soon became clear that the catalytic activity of nanoalloys very much depends on their size, chemical composition, and shape. Therefore, the question of controlling the synthesis of bimetallic nanoparticles to obtain particles of the desired size, spatial structure, and chemical composition is very acute. In the synthesis of the Cu-Au studied by us, nanoparticles can occur either through chemical or physical methods, each of which has its own drawbacks. Though it is very difficult to achieve the required target chemical composition of nanoparticles during chemical synthesis, their size can be stabilized quite well. In turn, physical synthesis methods mainly allow you to withstand the required chemical composition, but the size of the resulting particles varies significantly. To solve this contradiction, we studied the formation of Cu-Au nanoparticles of different chemical compositions from a gaseous medium using computer Molecular Dynamics simulation to determine the effect of the concentration of gold atoms on the size and actual chemical composition of the formed bimetallic nanoparticles.

Keywords: binary nanoparticles; computer simulation; copper; gold; molecular dynamics

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Gafner, Y. Y.; Gafner, S. L.; Ryzkova, D. A.; Nomoev, A. V. Beilstein Arch. 2020, 202088. doi:10.3762/bxiv.2020.88.v1

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