Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

In this study, we present theoretical X-ray absorption near-edge structure (XANES) spectra at the K-edge of oxygen in zirconia containing Ni dopant atoms and O vacancies at varying concentrations. Specifically, our model system consist of a supercell composed of a zirconia (ZrO(2)) matrix containing...

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Detalles Bibliográficos
Autores principales: Douma, Dick Hartmann, Poaty, Lodvert Tchibota, Lamperti, Alessio, Kenmoe, Stéphane, Raji, Abdulrafiu Tunde, Debernardi, Alberto, M’Passi-Mabiala, Bernard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2022
Materias:
Full Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9490065/
https://www.ncbi.nlm.nih.gov/pubmed/36161250
http://dx.doi.org/10.3762/bjnano.13.85

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9490065/
https://www.ncbi.nlm.nih.gov/pubmed/36161250
http://dx.doi.org/10.3762/bjnano.13.85

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