Zitieren Sie bitte immer diesen URN: urn:nbn:de:kobv:b43-608341
Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports
- The nature of the support can fundamentally affect the function of a heterogeneous catalyst. For the novel type of isolated metal atom catalysts, sometimes referred to as single‐atom catalysts, systematic correlations are still rare. Here, we report a general finding that Pd on nitride supports (non‐metal and metal nitride) features a higher oxidation state compared to that on oxide supports (non‐metal and metal oxide). Through thorough oxidation state investigations by X‐ray absorption spectroscopy (XAS), X‐ray photoelectron spectroscopy (XPS), CO‐DRIFTS, and density functional theory (DFT) coupled with Bader charge analysis, it is found that Pd atoms prefer to interact with surface hydroxyl group to form a Pd(OH)x species on oxide supports, while on nitride supports, Pd atoms incorporate into the surface structure in the form of Pd−N bonds. Moreover, a correlation was built between the formal oxidation state and computational Bader charge, based on the periodic trend inThe nature of the support can fundamentally affect the function of a heterogeneous catalyst. For the novel type of isolated metal atom catalysts, sometimes referred to as single‐atom catalysts, systematic correlations are still rare. Here, we report a general finding that Pd on nitride supports (non‐metal and metal nitride) features a higher oxidation state compared to that on oxide supports (non‐metal and metal oxide). Through thorough oxidation state investigations by X‐ray absorption spectroscopy (XAS), X‐ray photoelectron spectroscopy (XPS), CO‐DRIFTS, and density functional theory (DFT) coupled with Bader charge analysis, it is found that Pd atoms prefer to interact with surface hydroxyl group to form a Pd(OH)x species on oxide supports, while on nitride supports, Pd atoms incorporate into the surface structure in the form of Pd−N bonds. Moreover, a correlation was built between the formal oxidation state and computational Bader charge, based on the periodic trend in electronegativity.…
Autor*innen: | Junhao Huang, Marcus Klahn, Xinxin TianORCiD, Stephan BartlingORCiD, Anna ZiminaORCiD, Martin RadtkeORCiD, Nils RockstrohORCiD, Pawel Naliwajko, Norbert SteinfeldtORCiD, Tim PeppelORCiD, Jan‐Dierk GrunwaldtORCiD, Andrew J. LogsdailORCiD, Haijun JiaoORCiD, Jennifer StrunkORCiD |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Angewandte Chemie International Edition |
Jahr der Erstveröffentlichung: | 2024 |
Organisationseinheit der BAM: | 6 Materialchemie |
6 Materialchemie / 6.3 Strukturanalytik | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Wiley |
Jahrgang/Band: | 63 |
Ausgabe/Heft: | 20 |
Aufsatznummer: | e202400174 |
Erste Seite: | 1 |
Letzte Seite: | 9 |
DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
Freie Schlagwörter: | BAmline; Catalyst; XANES |
Themenfelder/Aktivitätsfelder der BAM: | Chemie und Prozesstechnik |
Chemie und Prozesstechnik / Chemische Charakterisierung und Spurenanalytik | |
DOI: | 10.1002/anie.202400174 |
URN: | urn:nbn:de:kobv:b43-608341 |
ISSN: | 1433-7851 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International |
Datum der Freischaltung: | 21.08.2024 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 21.08.2024 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |