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  Insights into the electronic structure of hydroxyl on Ag(110) under near ambient conditions

Codeço, C. F. S., Klyushin, A., Carbonio, E., Knop-Gericke, A., Schlögl, R., Jones, T., et al. (2022). Insights into the electronic structure of hydroxyl on Ag(110) under near ambient conditions. Physical Chemistry Chemical Physics, 24(15), 8832-8838. doi:10.1039/D1CP02929K.

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 Creators:
Codeço, Camilla F. S.1, Author
Klyushin, Alexander2, 3, Author              
Carbonio, Emilia2, 3, Author              
Knop-Gericke, Axel2, 4, Author              
Schlögl, Robert2, 4, Author              
Jones, Travis2, Author              
Rocha, Tulio C. R.5, Author
Affiliations:
1Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro, RJ, Brazil , ou_persistent22              
2Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, ou_24023              
3Helmholtz–Zentrum Berlin für Materialien und Energie GmbH, BESSY II, Albert-Einstein-Straße 15, Berlin, Germany , ou_persistent22              
4Max Planck Institute for Chemical Energy Conversion, Department of Heterogeneous Reactions, Stiftstrasse 34 – 36, 45470 Mülheim an der Ruhr, Germany , ou_persistent22              
5Brazilian Synchrotron Light Laboratory (LNLS), Brazilian Center for Research on Energy and Materials (CNPEM), Campinas, SP, Brazil , ou_persistent22              

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 Abstract: Adsorbed hydroxyl is a key intermediate present in many catalytic reactions and electrochemical processes. In particular, hydroxyl adsorbed on noble metal surfaces has attracted attention due to its role in water-gas shift, selective oxidation of hydrocarbons and water splitting. In this work, from a well-defined oxygen covered Ag(110) surface with O-p(2 × 1) reconstruction, we prepared a fully hydroxylated surface phase in equilibrium with water and oxygen in the gas phase under near ambient conditions. In situ soft X-ray spectroscopy combined with density functional theory revealed distinctive modifications in the electronic structure of the adsorbate layer upon hydroxylation. We show that both the core and valence electronic states of OH adsorbates have higher binding energies relative to the Fermi level than the states for the O adsorbate. The OH orbitals interact with the d band of Ag giving rise to hybridized orbitals with bonding and anti-bonding symmetry, with larger energy splitting than the oxygen adsorbate.

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Language(s): eng - English
 Dates: 2021-06-282022-03-082022-03-082022-04-21
 Publication Status: Published in print
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/D1CP02929K
 Degree: -

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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: 7 Volume / Issue: 24 (15) Sequence Number: - Start / End Page: 8832 - 8838 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1