Determination of the size limit of stability of the fcc phase of Ag nanoparticles

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Abstract

The main objective of the study was to find the size limit at which silver nanoclusters with different initial morphology spontaneously change their structure to the fcc structure inherent to the bulk silver. For this purpose, we have examined the data of high-resolution electron microscopy of the initial and annealed silver nanoparticles formed on a carbon substrate by vacuum-thermal evaporation. It was found that as a result of annealing, the number of small nanoparticles (D<3,5 nm) approximately twice decreased, and the proportion of nanoparticles with icosahedral and decahedral facets increased approximately 1,5 times. To evaluate the obtained results by the molecular dynamics method based on the second moment approximation of the tight-binding potential, an additional study of the stability limits of structural modifications of silver nanoclusters of similar diameters (D=2-10 nm) was carried out in order to determine the size limit of a possible thermally induced structural transition from the initial amorphous morphology to the fcc phase. The obtained data were compared with the results for Ag nanoparticles with the initial fcc structure. It was shown that the size limit at which the nanoclusters changed their initial amorphous structure to the fcc structure corresponds to a particle diameter of 8-10 nm.

About the authors

Yury Ya. Gafner

Khakass State University

Email: ygafner@khsu.ru
Dr. Sc., Professor, Chief of the Department of Mathematics, Physics and Information Technology

Daria A. Ryzhkova

Khakass State University

4th year postgraduate student, Senior Lecturer, Department of Mathematics, Physics and Information Technology

Svetlana L. Gafner

Khakass State University

Dr. Sc., Docent, Professor of the Department of Mathematics, Physics and Information Technology

Arina A. Cherepovskaya

Khakass State University

2nd year graduate student of specialty «Modern digital technologies in education»

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