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Comparisons of Analytical Approaches for Determining Shell Thicknesses of Core-Shell Nanoparticles by X-ray
C J Powell1, W S M Werner2, H Kalbe2
1Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8370, United States.
Determining nanoparticle shell thickness using X-ray photoelectron spectroscopy (XPS) is assessed. An empirical equation showed good accuracy, while elastic scattering effects were minimal for organic shells on gold cores.
Area of Science:
- Materials Science
- Surface Science
- Nanotechnology
Background:
- Accurate characterization of core-shell nanoparticles (NPs) is crucial for understanding their properties.
- X-ray photoelectron spectroscopy (XPS) is a powerful surface-sensitive technique for elemental analysis and chemical state determination.
- Quantifying shell thickness in core-shell NPs using XPS requires reliable methodologies.
Purpose of the Study:
- To evaluate two distinct approaches for determining the shell thicknesses of core-shell NPs via XPS.
- To validate an empirical equation for shell thickness determination.
- To investigate the impact of elastic scattering on photoelectron peak intensities in various core-shell NP systems.
Main Methods:
- Simulations of photoelectron peak intensities were performed for diverse core-shell NP compositions (Au/C, C/Au, Cu/Al, Al/Cu).
- The study assessed shell thickness accuracy using an empirical equation developed by Shard.
- Elastic scattering effects were systematically evaluated by comparing simulations with and without elastic scattering enabled.
Main Results:
- The Shard empirical equation provided shell thickness values with typically better than 10% agreement with actual thicknesses.
- For Au-core/C-shell NPs, elastic scattering effects on intensity ratios were generally less than 10%, validating its neglect in models for organic ligands on gold.
- Elastic scattering effects were significantly more pronounced for C-core/Au-shell, Al-core/Cu-shell, and Cu-core/Al-shell NPs, showing dependencies on core diameter and shell thickness.
Conclusions:
- The Shard equation is a reliable method for determining shell thicknesses of core-shell NPs using XPS.
- Elastic scattering can be neglected for organic shells on gold cores but must be considered for other metal-metal core-shell systems.
- These findings provide guidance for accurate XPS analysis of core-shell nanostructures.
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