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Definition of a new (Doniach-Sunjic-Shirley) peak shape for fitting asymmetric signals applied to reduced graphene oxide/graphene oxide XPS spectra

Moeini, Behnam, Linford, Matthew R., Fairley, Neal, Barlow, Anders, Cumpson, Peter, Morgan, David, Fernandez, Vincent and Baltrusaitis, Jonas 2022. Definition of a new (Doniach-Sunjic-Shirley) peak shape for fitting asymmetric signals applied to reduced graphene oxide/graphene oxide XPS spectra. Surface and Interface Analysis 54 (1) , pp. 67-77. 10.1002/sia.7021
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The existence of asymmetry in X-ray photoelectron spectroscopy (XPS) photoemission lines is widely accepted, but line shapes designed to accommodate asymmetry are generally lacking in theoretical justification. In this work, we present a new line shape for describing asymmetry in XPS signals that is based on two facts. First, the most widely known line shape for fitting asymmetric XPS signals that has a theoretical basis, referred to as the Doniach-Sunjic (DS) line shape, suffers from a mathematical inconvenience, which is that for asymmetric shapes the area beneath the curve (above the x-axis) is infinite. Second, it is common practice in XPS to remove the inelastically scattered background response of a peak in question with the Shirley algorithm. The new line shape described herein attempts to retain the theoretical virtues of the DS line shape, while allowing the use of a Shirley background, with the consequence that the resulting line shape has a finite area. To illustrate the use of this Doniach-Sunjic-Shirley (DSS) line shape, a set of spectra obtained from varying amounts of graphene oxide (GO) and reduced GO on a patterned, heterogeneous surface are fit and discussed.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Cardiff Catalysis Institute (CCI)
Publisher: John Wiley and Sons
ISSN: 0142-2421
Date of First Compliant Deposit: 27 October 2021
Date of Acceptance: 25 September 2021
Last Modified: 22 Dec 2021 17:22

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