大学化学 >> 2017, Vol. 32 >> Issue (8): 53-59.doi: 10.3866/PKU.DXHX201703030

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X射线光电子能谱中的分峰处理

孙博文1,余红雨1,钱东金1,陈萌2,*()   

  1. 1 复旦大学化学系, 上海 200433
    2 复旦大学材料系, 上海 200433
  • 发布日期:2017-08-15
  • 通讯作者: 陈萌 E-mail:chenmeng@fudan.edu.cn
  • 基金资助:
    国家自然科学基金(21471036);国家自然科学基金(51073039)

The Peak Separation Process in X-ray Photoelectron Spectroscopy

Bo-Wen SUN1,Hong-Yu YU1,Dong-Jin QIAN1,Meng CHEN2,*()   

  1. 1 Department of Chemistry, Fudan University, Shanghai 200433, P. R. China
    2 Department of Materials Science, Fudan University, Shanghai 200433, P. R. China
  • Published:2017-08-15
  • Contact: Meng CHEN E-mail:chenmeng@fudan.edu.cn
  • Supported by:
    国家自然科学基金(21471036);国家自然科学基金(51073039)

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摘要：

文章详细介绍了X射线光电子能谱分峰操作的流程，对谱图中单峰和多峰的荷电位移、数据平滑、背景扣除、谱峰确认和多高斯拟合操作的数学流程进行了图解。我们认为，具有足够连续宽度和强度的峰值处才可以被判定为峰；谱图中可以进行含量定量的谱峰强度应在背景涨落的10倍以上；最后得到的分峰结果，还应进行统计检验。

关键词: 背景扣除, 谱峰指认, 谱峰拟合, 统计检验

Abstract:

The normative process for peak separation in X-ray photoelectron spectroscopy was discussed in detail. The adjustment of binding energy shift, data smoothing, baseline correction, peak determination, and multi-Gaussian function fitting were carried out in mathematics. Besides, the principles in peak separation for p, d, and f atomic orbitals were also reviewed. Peaks with enough width at half maximum and intensities can be considered as peaks. The quantitative limit for the peak intensity should be 10 times of the statistical fluctuation of the background signal, and proper statistic tests such as chi-square test and paired t test should be used.

Key words: Background subtraction, Peak determination, Peak fitting, Statistic test