xps-surface-analyzer

# 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 ```json { "sample_id": "string", "elements_of_interest": ["string"], "analysis_type": "survey|high_resolution|depth_profile", "charge_reference": "C1s|Au4f|other" } ``` ## Output Schema ```json { "composition": [{ "element": "string", "concentration": "number (at%)", "uncertaint...