Surface analysis

Skill a5c-ai/babysitter/library/specializations/domains/science/materials-science/skills/surface-analysis

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Skill for surface composition, chemical state, and topography analysis including XPS depth profiling, AFM imaging, and contact angle measurements

SKILL.md

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Surface Analysis Skill

Purpose

The Surface Analysis skill provides comprehensive capabilities for characterizing material surfaces, enabling detailed analysis of surface composition, chemical bonding states, topography, and interfacial properties critical for understanding surface-sensitive phenomena.

Capabilities

XPS depth profiling and chemical state analysis
AFM imaging and roughness quantification
Contact angle measurement and surface energy calculation
Profilometry data analysis
Surface contamination identification
Tribological surface analysis
Coating thickness measurement
Adhesion mechanism analysis

Usage Guidelines

X-ray Photoelectron Spectroscopy (XPS)

Survey Spectra
- Acquire wide scan (0-1200 eV) for elemental identification
- Identify all elements present above detection limit (~0.1 at%)
- Note adventitious carbon for charge referencing
High-Resolution Spectra
- Acquire narrow scans for elements of interest
- Use appropriate pass energy (20-50 eV typical)
- Ensure sufficient signal-to-noise for peak fitting
Peak Fitting
- Apply Shirley or linear background
- Constrain FWHM and peak shape within physical limits
- Assign chemical states from binding energy shifts
Depth Profiling
- Use Ar+ sputtering for inorganic materials
- Consider cluster ions (Ar-cluster, C60) for organics
- Monitor for preferential sputtering and mixing

Atomic Force Microscopy (AFM)

Imaging Mode Selection
- Contact mode: Hard surfaces, atomic resolution
- Tapping mode: Soft samples, reduced tip wear
- Non-contact: Minimal surface interaction
Image Analysis
- Calculate roughness parameters (Ra, RMS, Rmax)
- Identify surface features and defects
- Measure step heights and feature dimensions
Force Spectroscopy
- Acquire force-distance curves
- Extract adhesion forces
- Map mechanical properties (modulus, stiffness)

Contact Angle Analysis

Measurement Methods
- Sessile drop for static contact angle
- Advancing/receding for dynamic behavior
- Wilhelmy plate for surface tension
Surface Energy Calculation
- Owens-Wendt method (dispersive + polar)
- Van Oss-Chaudhury-Good (acid-base)
- Use multiple probe liquids (water, diiodomethane, formamide)
Interpretation
- Hydrophilic: Contact angle < 90 degrees
- Hydrophobic: Contact angle > 90 degrees
- Superhydrophobic: Contact angle > 150 degrees

Process Integration

MS-003: Spectroscopic Analysis Suite
MS-015: Thin Film Deposition Protocol

Input Schema

{
  "sample_id": "string",
  "technique": "XPS|AFM|contact_angle|profilometry",
  "analysis_type": "survey|depth_profile|imaging|force_spectroscopy|wettability",
  "parameters": {
    "scan_area": "number (um x um for AFM)",
    "sputter_depth": "number (nm for XPS)",
    "probe_liquids": ["string (for contact angle)"]
  }
}

Output Schema

{
  "sample_id": "string",
  "xps_results": {
    "elemental_composition": [
      {
        "element": "string",
        "concentration": "number (at%)",
        "chemical_states": [
          {
            "state": "string",
            "binding_energy": "number (eV)",
            "fraction": "number (percent)"
          }
        ]
      }
    ],
    "depth_profile": {
      "depth": ["number (nm)"],
      "composition": {}
    }
  },
  "afm_results": {
    "roughness": {
      "Ra": "number (nm)",
      "RMS": "number (nm)",
      "Rmax": "number (nm)"
    },
    "features": ["string"]
  },
  "surface_energy": {
    "total": "number (mJ/m2)",
    "dispersive": "number (mJ/m2)",
    "polar": "number (mJ/m2)"
  }
}

Best Practices

Clean samples appropriately before analysis (solvent, plasma)
Use charge neutralization for insulating samples in XPS
Reference XPS binding energies to C 1s at 284.8 eV
Calibrate AFM z-scale with step height standards
Use fresh probe liquids for contact angle measurements
Report measurement conditions and uncertainties

Integration Points

Connects with Spectroscopy Analysis for complementary chemical information
Feeds into Thin Film Deposition for process monitoring
Supports Failure Analysis for surface contamination identification
Integrates with Corrosion Assessment for passive layer analysis