Influence of the size effect on the regularities of the structure formation in bimetallic Au-Co nanoparticles
N.Yu. Sdobnyakov, S.S. Bogdanov, A.D. Veselov, K.G. Savina, N.I. Nepsha, A.Yu. Kolosov, V.S. Myasnichenko
Tver State University
DOI: 10.26456/pcascnn/2021.13.612
Original article
Abstract: This work studied bimetallic Au–Co nanoparticles of three stoichiometric compositions of various sizes by the molecular dynamics method using the tight-binding potential. The regularities of structure formation are established, their characteristic features are described. In particular, in compositions with 50at% and 75at% Au content, multiple small nuclei of local icosahedral symmetry are formed. Crystalline phases prevail only in the Co -25 at% Au composition with an increase in the particle size. Compositions are revealed in which the internal symmetry of a nanoparticle is determined by the presence of one icosahedron or a superstructure of several icosahedrons. The concentration dependences of the mixing energy of a bimetallic Au–Co nanoparticle are calculated. It is shown that there are concentrations of compositions at which bimetallic nanoalloys can exhibit instability in a certain size range. Crystallization temperatures were determined using the caloric curves of the potential part of the internal energy. It was found that the crystallization temperature demonstrates a moderate or significant, depending on the composition as well as growth with an increase in the size of bimetallic Au–Co nanoparticles.
Keywords: molecular dynamics method, bimetallic nanoparticles, cobalt, gold, size mismatch, structure formation, stability, crystallization temperature, mixing energy
- Nickolay Yu. Sdobnyakov – Ph. D., Docent, General Physics Department, Tver State University
- Sergei S. Bogdanov – 4th year postgraduate student, General Physics Department, Tver State University
- Alexei D. Veselov – 3rd year postgraduate student, General Physics Department, Tver State University
- Ksenia G. Savina – 1st year graduate student, General Physics Department, Tver State University
- Nikita I. Nepsha – 1st year postgraduate student, General Physics Department, Tver State University
- Andrey Yu. Kolosov – Ph. D., Researcher, General Physics Department, Tver State University
- Vladimir S. Myasnichenko – Researcher, General Physics Department, Tver State University
Reference:
Sdobnyakov, N.Yu. Influence of the size effect on the regularities of the structure formation in bimetallic Au-Co nanoparticles / N.Yu. Sdobnyakov, S.S. Bogdanov, A.D. Veselov, K.G. Savina, N.I. Nepsha, A.Yu. Kolosov, V.S. Myasnichenko // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2021. — I. 13. — P. 612-623. DOI: 10.26456/pcascnn/2021.13.612. (In Russian).
Full article (in Russian): download PDF file
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