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Determining the atomic coordination number in the structure of β12 borophene on Ag(111) via X-ray photoelectron diffraction analysis

Bignardi, Luca
•
Pozzo, Monica
•
Zelenika, Albert
altro
Baraldi, Alessandro
2024
  • journal article

Periodico
SURFACES AND INTERFACES
Abstract
This study investigates the electronic properties of the borophene β12 phase on Ag(111) and correlates them with specific structural features by combining high-resolution core-level photoelectron spectroscopy, X-ray photoelectron diffraction, and density functional theory-based calculations. We establish a link between the atomic coordination number of the non-equivalent B atoms in the β12 unit cell and the observed spectroscopic signatures in the B 1s spectrum. This finding is conclusively proven by photoelectron diffraction, which confirms that this polymorph exhibits minimal corrugation on Ag(111). These results contribute to a deeper understanding of the properties of various borophene structures on metallic substrates and may stimulate further studies in realizing nanoscaled structures where the atomic coordination number plays a central role.
DOI
10.1016/j.surfin.2024.104791
WOS
WOS:001276474600001
Archivio
https://hdl.handle.net/11368/3091498
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85199033512
https://www.sciencedirect.com/science/article/pii/S2468023024009489
Diritti
open access
license:creative commons
license:creative commons
license uri:http://creativecommons.org/licenses/by/4.0/
license uri:http://creativecommons.org/licenses/by/4.0/
FVG url
https://arts.units.it/bitstream/11368/3091498/1/1-s2.0-S2468023024009489-main.pdf
Soggetti
  • Borophene

  • 2D material

  • Photoelectron spectro...

  • XPS

  • Photoelectron diffrac...

  • DFT

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