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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Atomic structure of small and intermediate-size silver nanoclusters
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Atomic structure of small and intermediate-size silver nanoclusters

机译：中小型银纳米团簇的原子结构

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摘要

Molecular dynamic simulations were performed to study the morphology and binding energy of the most stable isomers of silver clusters with diameters of less than 2 nm. A 5-fold symmetry was found in most cases, and a novel, morphology for the clusters of 39 and 116 silver atoms was identified. This morphology can be understood in terms of decahedral and icosahedral geometries, which are intercalated, as we explain in detail. These kind of structures have been observed for gold and now are predicted for small and intermediate silver nanoparticles.
机译：进行分子动力学模拟以研究直径小于2 nm的银团簇的最稳定异构体的形态和结合能。在大多数情况下，对称性是5倍，并且鉴定了39和116个银原子簇的新颖形态。可以根据十面体和二十面体的几何形状来理解这种形态，正如我们详细解释的那样。对于金已经观察到了这类结构，现在已经预测了中小型银纳米颗粒。

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