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Elucidating the oxygen storage-release dynamics in ceria nanorods by combined multi-wavelength Raman spectroscopy and DFT

Ziemba, Marc ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian (2020)
Elucidating the oxygen storage-release dynamics in ceria nanorods by combined multi-wavelength Raman spectroscopy and DFT.
In: The Journal of Physical Chemistry Letters, 11 (20)
doi: 10.1021/acs.jpclett.0c02607
Artikel, Bibliographie

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Kurzbeschreibung (Abstract)

The oxygen storage-release dynamics in ceria nanorods is elucidated by using a combination of in situ multi-wavelength Raman spectroscopy and density functional theory calculations. Ceria nanorods exposing CeO₂(100) and CeO₂(110) facets are shown to be characterized by highly facet-dependent properties regarding molecular oxygen activation and decomposition as well as lattice oxygen dynamics. Temperature-dependent Raman results show that oxygen is stored in the form of peroxide species on the (100) facets, which are then released as gaseous oxygen, whereas lattice oxygen is involved with the (110) facets. On the latter, peroxide species first decompose into oxygen atoms that heal vacant lattice oxygen sites before being released as gaseous oxygen. The exposure of different facets makes ceria nanorods an interesting material for catalytic applications, because they allow the use of a mixture of oxygen storage-release functions, as well as their synergistic interactions, in a single system.

Typ des Eintrags: Artikel
Erschienen: 2020
Autor(en): Ziemba, Marc ; Ganduglia-Pirovano, M. Verónica ; Hess, Christian
Art des Eintrags: Bibliographie
Titel: Elucidating the oxygen storage-release dynamics in ceria nanorods by combined multi-wavelength Raman spectroscopy and DFT
Sprache: Englisch
Publikationsjahr: September 2020
Verlag: American Chemical Society
Titel der Zeitschrift, Zeitung oder Schriftenreihe: The Journal of Physical Chemistry Letters
Jahrgang/Volume einer Zeitschrift: 11
(Heft-)Nummer: 20
DOI: 10.1021/acs.jpclett.0c02607
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Kurzbeschreibung (Abstract):

The oxygen storage-release dynamics in ceria nanorods is elucidated by using a combination of in situ multi-wavelength Raman spectroscopy and density functional theory calculations. Ceria nanorods exposing CeO₂(100) and CeO₂(110) facets are shown to be characterized by highly facet-dependent properties regarding molecular oxygen activation and decomposition as well as lattice oxygen dynamics. Temperature-dependent Raman results show that oxygen is stored in the form of peroxide species on the (100) facets, which are then released as gaseous oxygen, whereas lattice oxygen is involved with the (110) facets. On the latter, peroxide species first decompose into oxygen atoms that heal vacant lattice oxygen sites before being released as gaseous oxygen. The exposure of different facets makes ceria nanorods an interesting material for catalytic applications, because they allow the use of a mixture of oxygen storage-release functions, as well as their synergistic interactions, in a single system.

Fachbereich(e)/-gebiet(e): 07 Fachbereich Chemie
07 Fachbereich Chemie > Eduard Zintl-Institut
07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie
Zentrale Einrichtungen
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ)
Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner
Hinterlegungsdatum: 30 Sep 2020 06:36
Letzte Änderung: 30 Okt 2024 09:04
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