Features of Cu – Ni nanoparticle synthesis: experiment and computer simulation

V.I. Romanovskii¹, A.Yu. Kolosov³, A.A. Khort⁴, V.S. Myasnichenko³, K.B. Podbolotov⁵, K.G. Savina³, D.N. Sokolov³, E.V. Romanovskaia⁶, N.Yu. Sdobnyakov³

¹ Institute of General and Inorganic Chemistry NAS Belarus
³ Tver State University
⁴ KTH, Royal Institute of Technology, Stockholm, Sweden
⁵ Physical-Technical Institute of NAS of Belarus
⁶ Belarusian State Technological University

DOI: 10.26456/pcascnn/2020.12.293

Original article

Abstract: Combination of experiment and computer simulation made it possible to study the features of the process of Cu – Ni nanoparticle synthesis. Nanoparticles are synthesized by the method of exothermic combustion in solutions. The X-ray phase analysis of the obtained materials showed that all samples are pure bimetallic nanopowders with a distorted cubic crystal structure of each metal. The Monte-Carlo method in the temperature range from 300 to 6500 K established regularities of the neck formation for two cases of the initial location of copper and nickel nanoparticles: direct contact and relative displacement by 0,2 nm. The possibility of close integration of crystal structures as a Cu and Ni nanoparticles interaction result is shown.

Keywords: Cu-Ni, coalescence, computer simulation, Gupta potential, Monte-Carlo method, solution combustion synthesis

• Valentin I. Romanovskii – Ph. D., Senior Researcher, Institute of General and Inorganic Chemistry NAS Belarus
• Andrey Yu. Kolosov – Researcher of the General Physics Department, Tver State University
• Alexander A. Khort – Researcher, Division of Surface and corrosion science, KTH, Royal Institute of Technology, Stockholm, Sweden
• Vladimir S. Myasnichenko – Researcher of the General Physics Department, Tver State University
• Kirill B. Podbolotov – Ph. D., Docent, Leading Researcher, Physical-Technical Institute of NAS of Belarus
• Ksenia G. Savina – 4th year student, General Physics Department, Tver State University
• Denis N. Sokolov – Ph. D., Researcher of the General Physics Department, Tver State University
• Elena V. Romanovskaia – Ph. D., Senior Lecturer of the Department of Chemistry, Technology of Electrochemical Production and Electronic Engineering Materials, Belarusian State Technological University
• Nickolay Yu. Sdobnyakov – Ph. D., Docent of the General Physics Department, Tver State University

Reference:

Romanovskii, V.I. Features of Cu – Ni nanoparticle synthesis: experiment and computer simulation / V.I. Romanovskii, A.Yu. Kolosov, A.A. Khort, V.S. Myasnichenko, K.B. Podbolotov, K.G. Savina, D.N. Sokolov, E.V. Romanovskaia, N.Yu. Sdobnyakov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2020. — I. 12. — P. 293-309. DOI: 10.26456/pcascnn/2020.12.293. (In Russian).

Full article (in Russian): download PDF file

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