XPS Reference Database

XPS DB

Periodic Table of Elements

Select an element to view Core Levels & Chemical Shifts

Transition Non-metal Alkaline

Select an element from the table to view its XPS spectrum data.

Ti

Titanium

Atomic No. 22

Core Levels (Natural)

✦ = Fingerprint

Chemical Shifts

State	B.E. (eV)

* Fingerprints (✦) indicate the primary photoemission line used for element identification in survey scans (usually the strongest line accessible with Al Kα).

Experimental results may vary ±0.2 eV due to charge referencing (C1s=284.8 eV).

Practical XPS Analysis Protocol

Survey Scan Identification

Start by identifying all major elements. Use the periodic table in this tool to check peak positions. Look for major photoemission lines marked with ✦ (e.g., C1s, O1s) and their associated Auger lines.

Charge Correction (Calibration)

Insulators accumulate charge, shifting peaks. You must shift the entire spectrum back to a known reference.

Standard: Set Adventitious Carbon (C-C/C-H) C 1s to 284.8 eV.
Alternative: If no C is present, use a known metal peak (e.g., Au 4f7/2 at 84.0 eV).
Note: Apply the same energy shift ($\Delta$E) to all other high-resolution scans.

Background Subtraction

Before integrating peaks, remove the inelastic scattering background.

Shirley: The standard for most core levels (steps up under the peak).
Linear: Only use for very flat backgrounds or short energy ranges.
Tougaard: Best for wide scans or peaks with large inelastic tails (e.g., transition metals).

Peak Fitting (Deconvolution)

Fit synthetic Gaussian-Lorentzian (GL) curves to experimental data.

Mandatory Constraints (Physics Rules)

FWHM: Components in the same orbital (e.g., all C1s states) should have similar Full Width at Half Maximum (±0.2 eV).
Doublets (p, d, f orbitals):
• Area Ratios are fixed: p (1:2), d (2:3), f (3:4).
• Separation ($\Delta$E) is fixed (check this database).

Quantification

Calculate Atomic % using Relative Sensitivity Factors (RSF):

Atomic % = (Area_A / RSF_A) / Σ (Area_i / RSF_i)

Use RSFs specific to your instrument (Kratos, Thermo, PHI) or Scofield cross-sections if generic.