Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis
Abstract
To extract chemical information reliably, we propose a new data processing method based both on the creation of information vectors and on a vector base change. The originality of this method is the combination of the different core XPS peaks, Auger and/or valence bands in a single vector. We show that the measurement of a sample upon its progressive chemical change, such as accumulation of the adventitious carbon, allows us to create a new vector basis using linear algebra and Principal Component Analysis. In this work, we demonstrate the application of this method using adventitious carbon films on Au foil utilizing Au 4f, C 1s and O 1s spectral envelopes. This method expands the possibilities of XPS measured chemical environment analysis and is an operator-unbiased solution for materials for which the reference XPS spectra are not available. In this demonstration, the emphasis is placed on identifying changes in a C 1s peak assumed to be adventitious carbon and highlight uncertainties associated with calibrating the binding energy scale using a simple peak model to identify a component C 1s assumed to be saturated hydrocarbon in origin.
- Authors:
-
- Institut des Matériaux Jean Rouxel, Nantes Cedex (France)
- Casa Software Ltd, Devon (United Kingdom)
- Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemical and Biomolecular Engineering
- Publication Date:
- Research Org.:
- Georgia Institute of Technology, Atlanta, GA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1851704
- Alternate Identifier(s):
- OSTI ID: 1776969
- Grant/Contract Number:
- SC0012577
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Applied Surface Science
- Additional Journal Information:
- Journal Volume: 538; Journal Issue: C; Journal ID: ISSN 0169-4332
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 42 ENGINEERING; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Materials Science; Physics; X-ray photoelectron spectroscopy; Spectral envelopel Adventitious carbon; Gold; Principal Component Analysis
Citation Formats
Fernandez, Vincent, Fairley, Neal, and Baltrusaitis, Jonas. Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis. United States: N. p., 2020.
Web. doi:10.1016/j.apsusc.2020.148031.
Fernandez, Vincent, Fairley, Neal, & Baltrusaitis, Jonas. Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis. United States. https://doi.org/10.1016/j.apsusc.2020.148031
Fernandez, Vincent, Fairley, Neal, and Baltrusaitis, Jonas. Thu .
"Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis". United States. https://doi.org/10.1016/j.apsusc.2020.148031. https://www.osti.gov/servlets/purl/1851704.
@article{osti_1851704,
title = {Unraveling spectral shapes of adventitious carbon on gold using a time-resolved high-resolution X-ray photoelectron spectroscopy and principal component analysis},
author = {Fernandez, Vincent and Fairley, Neal and Baltrusaitis, Jonas},
abstractNote = {To extract chemical information reliably, we propose a new data processing method based both on the creation of information vectors and on a vector base change. The originality of this method is the combination of the different core XPS peaks, Auger and/or valence bands in a single vector. We show that the measurement of a sample upon its progressive chemical change, such as accumulation of the adventitious carbon, allows us to create a new vector basis using linear algebra and Principal Component Analysis. In this work, we demonstrate the application of this method using adventitious carbon films on Au foil utilizing Au 4f, C 1s and O 1s spectral envelopes. This method expands the possibilities of XPS measured chemical environment analysis and is an operator-unbiased solution for materials for which the reference XPS spectra are not available. In this demonstration, the emphasis is placed on identifying changes in a C 1s peak assumed to be adventitious carbon and highlight uncertainties associated with calibrating the binding energy scale using a simple peak model to identify a component C 1s assumed to be saturated hydrocarbon in origin.},
doi = {10.1016/j.apsusc.2020.148031},
journal = {Applied Surface Science},
number = C,
volume = 538,
place = {United States},
year = {Thu Oct 01 00:00:00 EDT 2020},
month = {Thu Oct 01 00:00:00 EDT 2020}
}
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