Weyel, Jakob ; Ziemba, Marc ; Hess, Christian (2024)
Elucidating Active CO–Au Species on Au/CeO₂(111): A Combined Modulation Excitation DRIFTS and Density Functional Theory Study.
In: Topics in Catalysis, 2022, 65
doi: 10.26083/tuprints-00026665
Artikel, Zweitveröffentlichung, Verlagsversion
 | Es ist eine neuere Version dieses Eintrags verfügbar. |
Kurzbeschreibung (Abstract)
In this work we elucidate the main steps of the CO oxidation mechanism over Au/CeO₂(111), clarifying the course of CO adsorption at a broad variety of surface sites as well as of transmutations of one CO species into another. By combining transient spectroscopy with DFT calculations we provide new evidence that the active centers for CO conversion are single gold atoms. To gain insight into the reaction mechanism, we employ Modulation Excitation (ME) DRIFT spectroscopy in combination with the mathematical tool of Phase Sensitive Detection to identify the active species and perform DFT calculations to facilitate the assignments of the observed bands. The transient nature of the ME-DRIFTS method allows us to sort the observed species temporally, providing further mechanistic insight. Our study highlights the potential of combined transient spectroscopy and theoretical calculations (DFT) to clarify the role of adsorbates observed and to elucidate the reaction mechanism of CO oxidation over supported gold and other noble-metal catalysts.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Weyel, Jakob ; Ziemba, Marc ; Hess, Christian |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Elucidating Active CO–Au Species on Au/CeO₂(111): A Combined Modulation Excitation DRIFTS and Density Functional Theory Study |
| Sprache: | Englisch |
| Publikationsjahr: | 24 April 2024 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 1 März 2022 |
| Ort der Erstveröffentlichung: | Bussum |
| Verlag: | Springer Nature |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Topics in Catalysis |
| Jahrgang/Volume einer Zeitschrift: | 65 |
| DOI: | 10.26083/tuprints-00026665 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/26665 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichungsservice |
| Kurzbeschreibung (Abstract): | In this work we elucidate the main steps of the CO oxidation mechanism over Au/CeO₂(111), clarifying the course of CO adsorption at a broad variety of surface sites as well as of transmutations of one CO species into another. By combining transient spectroscopy with DFT calculations we provide new evidence that the active centers for CO conversion are single gold atoms. To gain insight into the reaction mechanism, we employ Modulation Excitation (ME) DRIFT spectroscopy in combination with the mathematical tool of Phase Sensitive Detection to identify the active species and perform DFT calculations to facilitate the assignments of the observed bands. The transient nature of the ME-DRIFTS method allows us to sort the observed species temporally, providing further mechanistic insight. Our study highlights the potential of combined transient spectroscopy and theoretical calculations (DFT) to clarify the role of adsorbates observed and to elucidate the reaction mechanism of CO oxidation over supported gold and other noble-metal catalysts. |
| Freie Schlagworte: | Gold-ceria, In situ spectroscopy, Transient spectroscopy, CO oxidation, Modulation excitation spectroscopy (MES), Phase sensitive detection (PSD), DRIFTS, DFT |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-266657 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 24 Apr 2024 12:42 |
| Letzte Änderung: | 25 Apr 2024 07:08 |
| PPN: | |
| Export: | |
| Suche nach Titel in: | TUfind oder in Google |
Verfügbare Versionen dieses Eintrags
- Elucidating Active CO–Au Species on Au/CeO₂(111): A Combined Modulation Excitation DRIFTS and Density Functional Theory Study. (deposited 24 Apr 2024 12:42) [Gegenwärtig angezeigt]
 |
Frage zum Eintrag |
Optionen (nur für Redakteure)
 |
Redaktionelle Details anzeigen |
Drucken
Impressum