XPS Surface Analyzer Skill

XPS Surface Analyzer

Purpose

The XPS Surface Analyzer skill provides comprehensive X-ray Photoelectron Spectroscopy data analysis for nanomaterial surface characterization, enabling quantitative determination of surface composition, chemical states, and depth-dependent composition profiles.

Capabilities

Survey and high-resolution spectra acquisition
Peak fitting and deconvolution
Chemical state identification
Quantitative surface composition
Depth profiling analysis
Charge correction and calibration

Usage Guidelines

XPS Analysis Workflow

Survey Spectra
- Identify all elements present
- Check for unexpected contamination
- Plan high-resolution scans
Peak Fitting
- Apply appropriate background (Shirley, Tougaard)
- Constrain FWHM within physical limits
- Assign chemical states from binding energy
Quantification
- Apply relative sensitivity factors
- Account for matrix effects
- Report with appropriate uncertainty

Process Integration

Multi-Modal Nanomaterial Characterization Pipeline
Nanomaterial Surface Functionalization Pipeline
Structure-Property Correlation Analysis

Input Schema

{
  "sample_id": "string",
  "elements_of_interest": ["string"],
  "analysis_type": "survey|high_resolution|depth_profile",
  "charge_reference": "C1s|Au4f|other"
}

Output Schema

{
  "composition": [{
    "element": "string",
    "concentration": "number (at%)",
    "uncertainty": "number"
  }],
  "chemical_states": [{
    "element": "string",
    "state": "string",
    "binding_energy": "number (eV)",
    "fraction": "number (%)"
  }],
  "depth_profile": {
    "depths": ["number (nm)"],
    "compositions": [{}]
  }
}

Agent Skills: XPS Surface Analyzer

Install this agent skill to your local

Skill Files