Evaluating the Internal Structure of Core-Shell Nanoparticles Using X-ray Photoelectron Intensities and Simulated Spectra

Citation

Chudzicki, M.; Werner, W. S.; Shard, A. G.; Wang, Y. C.; Castner, D. G.; & Powell, C. J. (2015). Evaluating the Internal Structure of Core-Shell Nanoparticles Using X-ray Photoelectron Intensities and Simulated Spectra. J Phys Chem C Nanomater Interfaces, 119(31), 17687-17696. PMCID: 4554492

Abstract

The functionality of a new version of the National Institute of Standards and Technology database Simulation of Electron Spectra for Surface Analysis (SESSA) has been extended by implementing a new geometry engine. The engine enables users to simulate Auger-electron spectra and X-ray photoelectron spectra for different predefined morphologies (planar, islands, spheres, multi-layer core-shell particles). We compared shell thicknesses of core-shell nanoparticles derived from core-shell XPS peak intensities using Shard's method, which allows one to estimate shell thicknesses of core-shell nanoparticles, and a series of SESSA simulations for a wide range of nanoparticle dimensions. We obtained very good agreement of the shell thicknesses for cases where elastic scattering within the shell can be neglected, a result that is in accordance with the underlying assumptions of the Shard model. If elastic-scattering effects are important, there can be thickness uncertainties of up to 25 %. Experimental spectra of functionalized gold nanoparticles obtained by Techane et al. were analyzed with SESSA 2.0 both with respect to the relevant peak intensities as well as the spectral shape. Good agreement between experiment and theory was found for both cases. These results show that the single-sphere model for core-shell nanoparticles is valid when just using peak intensities, but more detailed modeling is needed to describe the inelastic background.

Notes

Chudzicki, M
Werner, W S M
Shard, A G
Wang, Y-C
Castner, D G
Powell, C J
P41 EB002027/EB/NIBIB NIH HHS/
J Phys Chem C Nanomater Interfaces. 2015 Aug 6;119(31):17687-17696.

Reference Type

Journal Article

Secondary Title

J Phys Chem C Nanomater Interfaces

Author(s)

Chudzicki, M.
Werner, W. S.
Shard, A. G.
Wang, Y. C.
Castner, D. G.
Powell, C. J.

Year Published

2015

Date Published

1754438400

Volume Number

119

Issue Number

Pages

17687-17696

ISSN/ISBN

1932-7447 (Print)
1932-7447 (Linking)

DOI

10.1021/acs.jpcc.5b04517

PMCID

4554492