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@ARTICLE{Wang:1028507,
      author       = {Wang, Jiayue and Müller, David and Crumlin, Ethan J.},
      title        = {{R}ecommended strategies for quantifying oxygen vacancies
                      with {X}-ray photoelectron spectroscopy},
      journal      = {Journal of the European Ceramic Society},
      issn         = {0955-2219},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2024-04659},
      pages        = {116709 -},
      year         = {2024},
      abstract     = {Oxygen vacancies play a crucial role in shaping the
                      properties of metal oxides for diverse applications such as
                      catalysis, ferroelectricity, magnetism, and
                      superconductivity. Although X-ray photoelectron spectroscopy
                      (XPS) is a robust tool, accurate quantification of oxygen
                      vacancies remains a challenge. A common mistake in XPS
                      analysis is associating the 531-532 eV feature in O 1 s
                      spectra with oxygen vacancies. This is incorrect because a
                      vacant oxygen site does not emit photoelectrons and
                      therefore does not generate a direct XPS spectral feature.
                      To address this issue, we propose three alternative
                      approaches for oxygen vacancy analysis with XPS through
                      indirect features: (1) quantifying cation valence state
                      variations, (2) assessing oxygen nonstoichiometry via
                      normalized oxygen spectral intensity, and (3) evaluating
                      Fermi energy changes from electrostatic shifts in the
                      binding energy. This work will enable precise XPS analysis
                      of oxygen vacancies, promoting future studies in
                      understanding and manipulating oxygen vacancies for advanced
                      material development.},
      cin          = {PGI-6 / PGI-7},
      ddc          = {660},
      cid          = {I:(DE-Juel1)PGI-6-20110106 / I:(DE-Juel1)PGI-7-20110106},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / DFG project 319443528 -
                      Magnetfeldunterstützte chemische Gasphasenabscheidung von
                      Übergansmetalloxiden und in situ Untersuchungen der
                      elektronischen Struktur mit Hilfe von
                      Roentgenabsorptionsspektroskopie (MagSpec) (319443528)},
      pid          = {G:(DE-HGF)POF4-632 / G:(GEPRIS)319443528},
      typ          = {PUB:(DE-HGF)25},
      doi          = {10.34734/FZJ-2024-04659},
      url          = {https://juser.fz-juelich.de/record/1028507},
}