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【软件技巧】XPS数据处理工具:Avantage简介

【软件技巧】XPS数据处理工具:Avantage简介

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Avantage是美国Thermo Fisher Scientific公司开发的X射线光电子能谱(XPS)专用数据采集与处理软件。它是目前材料、催化、能源、半导体等领域XPS数据分析的行业标准工具之一。

ONE

核心作用

1

谱图处理

提供荷电校正、背景扣除(Smart/Shirley/Tougaard)、多峰拟合(高斯-洛伦兹混合函数)等功能,可精确识别元素化学态。

2

定量分析

基于相对灵敏度因子(RSF)自动计算各元素及化学态的表面原子百分比。

3

高级分析

支持深度剖析、XPS 成像、角分辨XPS(ARXPS)等。

4

数据交互

可将处理后的谱图数据导出为通用文本格式(如.txt、.csv、.xys),供Origin、Python、Excel等第三方软件进一步绘图或分析。

对于科研者而言,掌握Avantage不仅是为了完成XPS数据的常规处理(荷电校正、分峰拟合),更重要的是将干净、规范的数据导出到Origin中绘制高质量论文配图。本文重点介绍从Avantage导出Origin可读数据的标准流程。

TWO

XPS数据处理基本流程

1

数据导入

先打开Avantage软件,然后找到原始数据文件,将VGD文件拖到Avantage中,可按住ctrl键多选;

💡小贴士:建议先保存一个工程文件(File→Save as→.vgd),避免处理过程中意外丢失。

2

扣除背景

选中C1s图,点击工具栏“峰添加”,一般选择“Smart”背景,点击“添加”,然后关闭即可,此时软件会自动给该图谱增加一条基线;

📌背景扣除的目的是去除非弹性散射电子产生的抬升信号,让峰形更真实。如果Smart背景不满意,可尝试Shirley(适用于峰重叠严重)或Linear(简单线性)。

3

峰拟合

点击工具栏“峰拟合”,然后“添加峰”,选择添加单个峰,添加峰的数量以及峰的宽度可根据实际的实验样品进行调整;接着回到“峰拟合”,点击“拟合所有层”,可自行调整所需要的拟合状态,最后确定;

⚠️注意!在峰拟合之后,可在峰拟合数据中看到“FWHM拟合”栏的数据,此值为半高全宽,一般来讲,同一张谱图中,不同化学态的子峰FWHM应大致相等(差别不超过0.2~0.3 eV),除非有明确的物理原因(如金属态和氧化态因寿命不同而有微小差异),若差距过大,可自行调整;

4

荷电矫正(关键)

以C1s(284.80 eV)为参考,对全谱及各高分辨谱进行能量校正;观察峰位数据,计算C1s与参考值(284.80 eV)的差,进行精准位移调整,注意右下角的“允许非整数位移”要勾选;

THREE

导出Origin可读初始数据

处理完成后,我们需要将谱图数据(包括原始强度、背景、拟合峰等)导出,以便在Origin中绘制更精美的论文图表。选中需要导出数据的图谱,点击右上角报告,excel形式,然后“Report to……”,保存即可。

常见导出问题与解决

问题:导出的数据只有两列,没有分峰组件、背景等信息。

原因:Avantage的某些语言版本(如中文)下,“报告”功能默认只导出原始数据。

解决:此时需要在编辑里面点开首选项“UI preferences”更换语言为“English United States”,然后重启软件,重新导出,最终导出的多列数据在Origin软件中进一步处理。

补充说明

以上操作适用于导电性较差,且本身含碳的样品,需要对样品进行分峰,分峰之后找到外来污染碳的谱峰,将其作为基准进行校正更准确(并不是哪个峰最强就将其作为基准)。对于常规样品,先电荷校正、后拟合的流程是最高效的做法。

内容来源:

https://www.bilibili.com/video/BV1XLKsehE2n/?spm_id_from=333.337.search-card.all.click&vd_source=eb26215e03dde5ef9cfbce49a840dfaf

https://zhuanlan.zhihu.com/p/666679193

https://shiyanjia.com/knowledge-articleinfo-1035.html

END

来源:张腾龙

排版:刘建君

审核:王爱涛 张淼

审定:黄诗迪 栗筱佳 王禹荣

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  1. CONNECT:[ UseTime:0.000666s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000804s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000317s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000293s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000470s ]
  6. SELECT * FROM `set` [ RunTime:0.000202s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000509s ]
  8. SELECT * FROM `article` WHERE `id` = 511558 LIMIT 1 [ RunTime:0.001359s ]
  9. UPDATE `article` SET `lasttime` = 1775820793 WHERE `id` = 511558 [ RunTime:0.005572s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000237s ]
  11. SELECT * FROM `article` WHERE `id` < 511558 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000428s ]
  12. SELECT * FROM `article` WHERE `id` > 511558 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000753s ]
  13. SELECT * FROM `article` WHERE `id` < 511558 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.001122s ]
  14. SELECT * FROM `article` WHERE `id` < 511558 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.001005s ]
  15. SELECT * FROM `article` WHERE `id` < 511558 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.001139s ]
0.119186s