UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Information hidden behind a single peak in the C 1s spectrum of graphene on Ir(111)

Botta, C; Loi, F; Alfè, D; Baraldi, A; (2024) Information hidden behind a single peak in the C 1s spectrum of graphene on Ir(111). Applied Surface Science , 646 , Article 158913. 10.1016/j.apsusc.2023.158913. Green open access

[thumbnail of ARTICOLO Botta.pdf]
Preview
Text
ARTICOLO Botta.pdf - Accepted Version

Download (3MB) | Preview

Abstract

The energy resolution that can be achieved in x-ray photoelectron spectroscopy experiments allows to disentangle the contribution arising from the presence of a large variety of surface atoms in non-equivalent configurations which manifests itself not only with the appearance of different spectral components, but also as unusual lineshape. In the present work, we show that the fit of the C 1s core level spectrum of graphene grown on Ir(1 1 1) realized using 200 peaks based on ab initio calculations, accounting for the non-equivalent C atoms in the 10×10 moiré cell, does not improve the fit quality with respect to the use of a single component. On the contrary, the quantitative fit quality can be drastically increased by introducing a dependency of the Lorentzian width on the distance between C and Ir first-layer atoms. This result is associated to the different electronic properties, and in particular to the different density of states of the σ and π bands, of C atoms sitting on TOP (hills) or FCC (valleys) regions of graphene which affect the lifetimes of the core-holes generated during the photoemission process.

Type: Article
Title: Information hidden behind a single peak in the C 1s spectrum of graphene on Ir(111)
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.apsusc.2023.158913
Publisher version: https://doi.org/10.1016/j.apsusc.2023.158913
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Graphene, X-ray Photoelectron Spectroscopy, C 1s, Epitaxial growth, Density Functional Theory, Core-hole life time
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/10183881
Downloads since deposit
5Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item