Article Dans Une Revue Surface and Interface Analysis Année : 2021

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

Résumé

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.

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hal-03414837 , version 1 (22-08-2025)

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Behnam Moeini, Matthew Linford, Neal Fairley, Anders Barlow, Peter Cumpson, et al.. 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, 2021, 54 (1), pp.67-77. ⟨10.1002/sia.7021⟩. ⟨hal-03414837⟩
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