X射线光电子能谱中的分峰处理-大学化学.PDFVIP

大学化学(Daxue Huaxue) August Univ. Chem. 2017, 32 (8), 53－59 53 ∙师生笔谈∙ doi: 10.3866/PKU.DXHX201703030 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 2 ( 复旦大学化学系，上海200433 ；复旦大学材料系，上海200433) 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 中图分类号：G64 ；O6 The Peak Separation Process in X-ray Photoelectron Spectroscopy SUN Bo-Wen1 YU Hong-Yu1 QIAN Dong-Jin1 CHEN Meng2,* 1 ( Department of Chemistry, Fudan University, Shanghai 200433, P. R. China; 2Department of Materials Science, Fudan University, Shanghai 200433, P. R. China) 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 X 射线光电子能谱(XPS)是使用X 射线(约1000－1500 eV)激发样品表面，通过测量激发出的光电 子能量分布而确定材料的表面组成和电子结构的。由于XPS 对样品