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Effect of “Magic” fcc Numbers on the Stability of the Structure of Small Silver Nanoclusters
JETP Letters ( IF 1.3 ) Pub Date : 2021-07-21 , DOI: 10.1134/s002136402110009x
D. A. Ryzhkova 1 , S. L. Gafner 1 , Yu. Ya. Gafner 1
Affiliation  

Plasmonic applications, which are determined by the strong interaction between an electromagnetic wave and free electrons in nanostructures, are among the possible applications of silver nanoparticles. It appears that the frequency and intensity of the plasmon resonance depend on the polarization charge distribution determined by the shape and structure of a nanoparticle. Consequently, the control of the structure of nanoclusters allows varying the wavelengths of light that are scattered or absorbed on them. In this work, the limits of the thermal stability of the initial amorphous phase in silver clusters with sizes smaller than 2.0 nm with the number of atoms corresponding to the “magic” numbers of the fcc structure are studied by the molecular dynamics method with the modified TB-SMA tight-binding potential. The results are compared with the data for a similar set of particles with the initial fcc structure. It is shown that the characters of thermally induced structural transitions in the studied groups of nanoclusters are drastically different. This property can allow fabricating small silver clusters with the required internal structure.



中文翻译:

“神奇”fcc 数对小银纳米团簇结构稳定性的影响

由电磁波和纳米结构中的自由电子之间的强相互作用决定的等离子体应用是银纳米颗粒的可能应用之一。等离子体共振的频率和强度似乎取决于由纳米颗粒的形状和结构决定的极化电荷分布。因此,对纳米团簇结构的控制允许改变在它们上散射或吸收的光的波长。在这项工作中,通过分子动力学方法研究了尺寸小于 2.0 nm 的银团簇中初始非晶相的热稳定性极限,其原子数对应于 fcc 结构的“魔”数。 TB-SMA 紧束缚势。将结果与具有初始 fcc 结构的一组类似粒子的数据进行比较。结果表明,所研究的纳米团簇群中热致结构转变的特征截然不同。这种特性可以允许制造具有所需内部结构的小银簇。

更新日期:2021-07-22
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