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xps-surface-analyzer

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X-ray Photoelectron Spectroscopy analysis skill for surface composition, chemical state, and depth profiling

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How to use this skill

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Source SKILL.md: https://github.com/a5c-ai/babysitter/blob/HEAD/library/specializations/domains/science/nanotechnology/skills/xps-surface-analyzer/SKILL.md

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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

  1. Survey Spectra

    • Identify all elements present
    • Check for unexpected contamination
    • Plan high-resolution scans

  2. Peak Fitting

    • Apply appropriate background (Shirley, Tougaard)
    • Constrain FWHM within physical limits
    • Assign chemical states from binding energy

  3. 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": [{}]
  }
}