Structural and Chemical Properties of NiOₓ Thin Films: Oxygen Vacancy Formation in O₂ Atmosphere

Blume, Raoul ; Calvet, Wolfram ; Ghafari, Aliakbar ; Mayer, Thomas ; Knop‐Gericke, Axel ; Schlögl, Robert (2024)
Structural and Chemical Properties of NiOₓ Thin Films: Oxygen Vacancy Formation in O₂ Atmosphere.
In: ChemPhysChem, 2023, 24 (23)
doi: 10.26083/tuprints-00027228
Article, Secondary publication, Publisher's Version

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Item Type:

Article

Type of entry:

Secondary publication

Title:

Structural and Chemical Properties of NiOₓ Thin Films: Oxygen Vacancy Formation in O₂ Atmosphere

Language:

English

Date:

27 May 2024

Place of Publication:

Darmstadt

Year of primary publication:

1 December 2023

Place of primary publication:

Weinheim

Publisher:

Wiley-VCH

Journal or Publication Title:

ChemPhysChem

Volume of the journal:

Issue Number:

Collation:

11 Seiten

DOI:

10.26083/tuprints-00027228

Corresponding Links:

Publisher-DOI

Origin:

Secondary publication DeepGreen

Abstract:

NiOₓ films on Si(111) were put in contact with oxygen at elevated temperatures. During heating and cooling in oxygen atmosphere Near Ambient Pressure (NAP)‐XPS and ‐XAS and work function (WF) measurements reveal the creation and replenishing of oxygen vacancies in dependence of temperature. Oxygen vacancies manifest themselves as a distinct O1s feature at 528.9 eV on the low binding energy side of the main NiO peak as well as by a distinct deviation of the Ni2p₃/₂ spectral features from the typical NiO spectra. DFT calculations reveal that the presence of oxygen vacancies leads to a charge redistribution and altered bond lengths of the atoms surrounding the vacancies causing the observed spectral changes. Furthermore, we observed that a broadening of the lowest energy peak in the O K‐edge spectra can be attributed to oxygen vacancies. In the presence of oxygen vacancies, the WF is lowered by 0.1 eV.

Alternative Abstract:

Alternative Abstract	Language
The formation and properties of oxygen vacancies on thin NiOₓ films were investigated in situ at elevated temperatures and high oxygen pressures. Due to charge redistribution and altered bond lengths of the atoms surrounding the oxygen vacancies, they appear as distinct spectral features in O1s and O K-edge spectra, clearly distinguishable from all other peaks.	English

Uncontrolled Keywords:

adsorption, nickel, oxide, oxygen, vacancy

Identification Number:

Artikel-ID: e202300231

Status:

Publisher's Version

URN:

urn:nbn:de:tuda-tuprints-272284

Additional Information:

An invited contribution to a Special Collection on Synchrotron-Based Photoand Physical Chemistr

Classification DDC:

500 Science and mathematics > 530 Physics
500 Science and mathematics > 540 Chemistry