Statistical Evaluation of the Solid-Solution State in Ternary Nanoalloys,The Journal of Physical Chemistry C

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Statistical Evaluation of the Solid-Solution State in Ternary Nanoalloys
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2020-08-28 , DOI: 10.1021/acs.jpcc.0c06813
Xuan Quy Tran ₁ , Yoshiki Kono ₁ , Tomokazu Yamamoto _{1,

2} , Kohei Kusada ₃ , Hiroshi Kitagawa ₃ , Syo Matsumura _{1,

2}

Affiliation

Quantitative evaluation of the alloying state in nanoalloy systems is key to understanding their functional properties in a diverse range of applications spanning from catalysis and plasmonics to biomedicine and so forth. Here, we develop a method to statistically and visually represent the sub-nanometer local compositional distribution in ternary nanoparticles (NPs) in terms of ternary histograms and kernel density estimation analysis. Further descriptive statistics is performed within the mathematical framework of compositional data analysis to account for the constant-sum constraint and positivity inherent to the nature of compositional data. The approach has been demonstrated on several conceptual particle models and real systems, namely, Pd–Rh–Ru and Ag–Au–Pd NPs, utilizing experimental X-ray energy-dispersive spectroscopy (XEDS) maps acquired from a scanning transmission electron microscope. We regard this as a useful tool for extending to other well-known configurations such as uniformly mixed solid solutions, core–shell, or phase-decomposed clusters often encountered in other nanoalloy systems. Proposed solutions to overcome common problems associated with NPs such as low X-ray counting and XEDS spectral overlapping are also presented and discussed.

中文翻译：

三元纳米合金固溶态的统计评估

纳米合金系统中合金状态的定量评估对于理解其在从催化，等离子激元到生物医学等各种应用中的功能特性至关重要。在这里，我们开发了一种方法，可以根据三元直方图和核密度估计分析，以统计和视觉方式表示三元纳米颗粒（NPs）中的亚纳米局部成分分布。在成分数据分析的数学框架内执行进一步的描述性统计，以说明成分数据性质固有的常数和约束和阳性。该方法已在几个概念性的粒子模型和实际系统中得到证明，即Pd–Rh–Ru和Ag–Au–Pd NPs，利用从扫描透射电子显微镜获得的实验X射线能量色散光谱（XEDS）图。我们认为这是扩展其他知名配置的有用工具，例如其他纳米合金系统中经常遇到的均匀混合的固溶体，核-壳或相分解的簇。还提出并讨论了解决与NP相关的常见问题（例如低X射线计数和XEDS光谱重叠）的解决方案。

更新日期：2020-10-02

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