a5c-ai 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": [{}]
}
}