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首页> 外文期刊>Applied Surface Science >Unexpected trend for thermodynamic stability of Au@void@AgAu yolk-shell nanoparticles: A molecular dynamics study
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Unexpected trend for thermodynamic stability of Au@void@AgAu yolk-shell nanoparticles: A molecular dynamics study

机译：Au @ void @ AgAu卵黄壳纳米粒子热力学稳定性的意外趋势：分子动力学研究

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摘要

In this study, Au@void@AgAu yolk-shell nanoparticles with different shell compositions were investigated by molecular dynamics simulation. Various Ag mole fractions in the shell of nanoclusters were considered. The results indicated that sizes of these nanoparticles play the key role in their thermodynamic stability, in such a way that the ratio of external radius to the thickness of the shell region should be decreased enough to reach a thermodynamic stability at room temperature. For small nanoparticles with large ratio of external radius to the thickness of the shell region, collapse of the shell leads to complete filling of the void space and creation of the more stable Au@AgAu core-shell or mixed nanoclusters. Hence, they are not stable at room temperature. (C) 2018 Elsevier B.V. All rights reserved.
机译：在这项研究中，通过分子动力学模拟研究了具有不同壳组成的Au @ void @ AgAu卵黄壳纳米粒子。考虑了纳米团簇壳中的各种Ag摩尔分数。结果表明，这些纳米粒子的尺寸在其热力学稳定性中起着关键作用，其方式是，应减小外半径与壳区域厚度的比率，以使其在室温下达到热力学稳定性。对于具有较大的外部半径与壳区域的厚度之比的小纳米粒子，壳的塌陷导致空隙空间的完全填充并产生更稳定的Au @ AgAu核壳或混合的纳米团簇。因此，它们在室温下不稳定。 （C）2018 Elsevier B.V.保留所有权利。

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