University of Oulu

Ozon, M., Tumashevich, K., & Prisle, N. L. (2023). Quantitative alignment parameter estimation for analyzing X-ray photoelectron spectra. Journal of Synchrotron Radiation, 30(4), 766–779.

Qu­antitative alignment parameter estimation for analyzing X-ray photoelectron spectra

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Author: Ozon, Matthew1; Tumashevich, Konstantin1; Prisle, Nønne L.1
Organizations: 1Center for Atmospheric Research, PO BOX 4500, University of Oulu, Finland
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.7 MB)
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Language: English
Published: International Union of Crystallography, 2023
Publish Date: 2023-09-28


The interpretation of X-ray photoelectron spectroscopy (XPS) data relies on measurement models that depend on several parameters, including the photoelectron attenuation length and X-ray photon flux. However, some of these parameters are not known, because they are not or cannot be measured. The unknown geometrical parameters can be lumped together in a multiplicative factor, the alignment parameter. This parameter characterizes the ability of the exciting light to interact with the sample. Unfortunately, the absolute value of the alignment parameter cannot be measured directly, in part because it depends on the measurement model. Instead, a proxy for the experimental alignment is often estimated, which is closely related to the alignment parameter. Here, a method for estimating the absolute value of the alignment parameter based on the raw XPS spectra (i.e. non-processed photoelectron counts), the geometry of the sample and the photoelectron attenuation length is presented. The proposed parameter estimation method enables the quantitative analysis of XPS spectra using a simplified measurement model. All computations can be executed within the open and free Julia language framework PROPHESY. To demonstrate feasibility, the alignment parameter estimation method is first tested on simulated data with known acquisition parameters. The method is then applied to experimental XPS data and a strong correlation between the estimated alignment parameter and the typically used alignment proxy is shown.

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Series: Journal of synchrotron radiation
ISSN: 0909-0495
ISSN-E: 1600-5775
ISSN-L: 0909-0495
Volume: 30
Issue: Pt 4
Pages: 766 - 779
DOI: 10.1107/S1600577523004150
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
Funding: This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program, Project SURFACE (Grant Agreement No. 717022). The authors also gratefully acknowledge the financial contribution from the Academy of Finland, including Grant Nos. 308238, 314175, 316743, 335649 and 351476.
EU Grant Number: (717022) SURFACE - The unexplored world of aerosol surfaces and their impacts.
Academy of Finland Grant Number: 308238
Detailed Information: 308238 (Academy of Finland Funding decision)
314175 (Academy of Finland Funding decision)
316743 (Academy of Finland Funding decision)
335649 (Academy of Finland Funding decision)
351476 (Academy of Finland Funding decision)
Copyright information: © The Author(s) 2023. Published under a CC BY 4.0 licence.