Formation of metal/semiconductor Cu–Si composite nanostructures

• Main Authors: Natalya V. Yumozhapova, Andrey V. Nomoev, Vyacheslav V. Syzrantsev, Erzhena C. Khartaeva
• Format: Article
• Language: English
• Published: Beilstein-Institut 2019-12-01
• Series: Beilstein Journal of Nanotechnology
• Subjects: composite nanoparticle; gas-phase synthesis; molecular dynamics modelling
• Online Access: https://doi.org/10.3762/bjnano.10.240
• ISSN: 2190-4286

Molecular dynamics modelling of the formation of copper and silicon composite nanostructures was carried out by using the many-particle potential method. The dependences of the internal structure on the cooling rate and the ratio of elements were investigated. The possibility of the formation of the Cu–Si nanoparticles from both a homogeneous alloy and two initial drops at short distance were shown. A comparative analysis showed that the diameter distribution of copper and silicon atoms in experimental particles coincides with the simulation results with silicon content of 50 atom %. Additionally, an estimation of the effective experimental cooling rate was made.