【摘要】 X射线光电子能谱(XPS)技术广泛应用于科学研究和工程技术领域。测试数据通常需要进行谱峰拟合处理，才能得到准确的谱峰结合能位置和表面物种的相对含量信息。但XPS谱峰拟合过程存在着严重的人为因素，使得拟合结果存在着比较明显的错误。造成拟合错误的原因主要就是对谱峰信号的拟合参数没有做任何限定，或者做出了错误的限定。光电子信号有4个基本要素，即自旋轨道分裂间距、分裂谱峰强度、谱峰的形状和对称性、谱峰的半高峰宽。文章阐述了这4个基本要素的物理本质，并且给出了拟合参数设置的合理建议。XPS谱峰拟合并不是简单地做数值运算，而是需要对光电子信号的上述4个基本要素做合理的关联与约束，使得拟合后的总包络线与原始谱线尽量吻合，并且各分谱都具有明确的物理化学意义。更多还原

【Abstract】 X-ray photoelectron spectroscopy(XPS) has been widely employed in scientific research and engineering technology. The test data typically require handling for peak fitting; consequently, an accurate peak position in binding energy and the relative contents of the surface species are required. However, a serious human factor emerges during the process of XPS peak fitting, leading to distinct mistakes in the fitting results. The reason for the fitting errors is primarily that no constraints or incorrect constraints were applied to the fitting parameters of the XPS signals. There are four essential elements in XPS photoelectron signals: the separation distance and intensity ratio of spin-orbit splitting, the shape and symmetry of XPS signals, and the full width at half-maximum(FWHM) of XPS signals. In this text, the physical natures of these four essential elements are elucidated, and a reasonable suggestion is proposed for the setting of parameters in XPS peak fitting. In the process of XPS peak fitting, it is not simply a matter of mathematical calculation. However, association and constraintmust be considered in the above four essential elements of XPS photoelectron signals, resulting in a large extent of coincidence between the fitting envelope and the original curve. Furthermore, the components after peak fitting all possess explicit physical and chemical meanings.更多还原