Determination of common peak structure from multiple X-ray photo-electron spectroscopy data sets
Determination of common peak structure from multiple X-ray photo-electron spectroscopy data sets
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DOI：
10.1080/27660400.2021.1957304
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发表时间：
2021-01
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影响因子：
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通讯作者：
Ryo Murakami;Hayaru Shouno;K. Nagata;H. Shinotsuka;Hideki Yoshikawa
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文献类型：
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作者：
Ryo Murakami;Hayaru Shouno;K. Nagata;H. Shinotsuka;Hideki Yoshikawa
摘要 X 射线光电子能谱 (XPS) 峰结构（即峰参数和峰数量）为材料化学分析提供了重要见解。参考 XPS 光谱数据可用于化合物的单相，如各种研究论文和数据库中引用的那样。在这里，我们考虑化合物的相同单相的不同参考光谱之间的各个峰结构如何变化。我们开发了一种可以从多个光谱数据集中自动估计常见峰结构的技术。具体来说，我们开发了一种峰分离方法，该方法考虑了常见的峰参数和测量引起的波动。该方法可以唯一地估计多个XPS光谱数据集的公共峰结构。例如，我们将所提出的方法应用于之前 15 份报告的 Ti 2p XPS 结果。通过这种方式，我们证实了估计的结构具有很高的可解释性。图解摘要
ABSTRACT X-ray photo-electron spectroscopy (XPS) peak structure (i.e. peak parameters and the number of peaks) offers critical insights in chemical analysis of materials. Reference XPS spectral data are available for single-phases of compounds, as cited in various research papers and databases. Herein, we consider how individual peak structure varies among different reference spectra for the same single-phase of a compound. We developed a technique that automatically estimates common peak structures from multiple spectral data sets. Specifically, we developed a peak separation method that considers both common peak parameters and measurement-derived fluctuations. The proposed method can uniquely estimate the common peak structure of multiple XPS spectral data sets. For example, we applied the proposed approach to Ti 2p XPS results for from 15 previous reports. In this way, we confirmed that estimated structure has high interpret-ability. Graphical Abstract