---
name: xps-surface-analyzer-63fe10fdf934
description: X-ray Photoelectron Spectroscopy analysis skill for surface composition, chemical state, and depth profiling
allowed-tools:
  - Read
  - Write
  - Glob
  - Grep
  - Bash
metadata:
  specialization: nanotechnology
  domain: science
  category: surface-analysis
  priority: high
  phase: 6
  tools-libraries:
    - CasaXPS
    - XPSPeak
    - PHI MultiPak
    - Avantage
graph:
  domains: [domain:nanotechnology]
  skillAreas: [skill-area:mathematical-reasoning, skill-area:physics-simulation, skill-area:data-analysis]
  workflows: [workflow:experiment-design]
  roles: [role:research-engineer]
---

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


---
Source attribution: a5c-ai
Original project: https://github.com/a5c-ai/babysitter/blob/feb68abe397acc14f32b34984975c48fedba2b33/library/specializations/domains/science/nanotechnology/skills/xps-surface-analyzer/SKILL.md
License: MIT
License information: https://opensource.org/license/mit
Original upstream instructions; downloaded from Mega AI Hub.

## Upstream license notice

# MIT License

Copyright (c) 2025 A5C AI

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.



# Mega AI Hub resource metadata

Creator / publisher: a5c-ai
Original project: https://github.com/a5c-ai/babysitter/blob/feb68abe397acc14f32b34984975c48fedba2b33/library/specializations/domains/science/nanotechnology/skills/xps-surface-analyzer/SKILL.md
Attribution basis: Source repository record

Fields of work: Data & Analytics, Education & Research
Roles: Data Scientist, Researcher
Specialties: Specialty not specified
Tools: Avantage, Casaxps, Xpspeak, Phi Multipak
Country applicability: Country not specified
Classification basis: Source catalog labels
Instruction SHA-256: 44fd2e7187621bf15c7f57fcad7c0578ea49d2eee3bbf13835810ac09bb40e27