Механизмы агрегации наночастиц NI и NIO в вакууме
Аннотация
The limitations of the measuring capabilities of experimental devices complicate the complete understanding of nanoparticle aggregation processes. In particular, the formation of nanocomposites such as Ni/NiO and the study of their aggregation mechanisms to control the relative composition of the composite remain relevant. In this regard, this article uses reactive molecular dynamics modeling to study the mechanisms of aggregation of Ni and NiO nanoclusters. The results showed that oxygen atoms have a significant effect on the aggregation process. In particular, due to oxygen atoms, the stability of NiO nanoclusters is high, and oxygen atoms reduce the degree of bonding of nickel atoms in NiO nanoclusters with other nanocluster atoms. As a result, while Ni nanoclusters tend to stabilize by forming mutual chemical bonds due to aggregation, NiO nanoclusters try to aggregate through weak van der Waals forces. Overall, this study provides a better understanding of the aggregation process of Ni and NiO nanoclusters at the atomic level and is important for future research aimed at developing metal/metal oxide nanocomposites with desired properties.
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Copyright (c) 2024 Ф.М. Сафаров (Автор); Ф.Х. Хайдаров, K.Б. Эгамбердиев, Т.А. Ахмаджанов, У.Б. Халилов (Переводчик)
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