Deutsch
 
Hilfe Datenschutzhinweis Impressum
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT
  Atomic Structure of an Ultrathin Fe-Silicate Film Grown on a Metal: A Monolayer of Clay?

Włodarczyk, R., Sauer, J., Yu, X., Boscoboinik, J. A., Yang, B., Shaikhutdinov, S. K., et al. (2013). Atomic Structure of an Ultrathin Fe-Silicate Film Grown on a Metal: A Monolayer of Clay? Journal of the American Chemical Society, 135(51), 19222-19228. doi:10.1021/ja408772p.

Item is

Externe Referenzen

einblenden:

Urheber

einblenden:
ausblenden:
 Urheber:
Włodarczyk, Radosław1, Autor
Sauer, Joachim1, Autor
Yu, Xin2, Autor           
Boscoboinik, Jorge Anibal2, Autor           
Yang, Bing2, Autor           
Shaikhutdinov, Shamil K.2, Autor           
Freund, Hans-Joachim2, Autor           
Affiliations:
1Institute of Chemistry, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin, Germany, ou_persistent22              
2Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

Inhalt

einblenden:
ausblenden:
Schlagwörter: -
 Zusammenfassung: Ultrathin Fe-doped silicate films were prepared on a Ru(0001) surface and, as a function of the Fe/Si ratio, structurally characterized by low-energy electron diffraction, X-ray photoelectron spectroscopy, infrared reflection–absorption spectroscopy, and scanning tunneling microscopy. Density functional theory (DFT) was used to identify the atomic structure. The results show that uniform substitution of Si by Fe in the silicate bilayer frame is thermodynamically unfavorable: the film segregates into a pure silicate and an Fe-silicate phase. The DFT calculations reveal that the Fe-silicate film with an Fe/Si = 1:1 ratio consists of a monolayer of [SiO4] tetrahedra on top of an iron oxide monolayer. As such, it closely resembles the structure of the clay mineral nontronite, a representative of the Fe-rich smectites. Furthermore, the DFT calculations predict formation of bridging Fe–O–Ru bonds between the Fe-silicate film and the Ru substrate accompanied by charge transfer from the metal substrate to the film, so that iron is in the oxidation state +III as in nontronite.

Details

einblenden:
ausblenden:
Sprache(n): eng - English
 Datum: 2013-08-232013-112013-12-102013-12-26
 Publikationsstatus: Erschienen
 Seiten: 7
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/ja408772p
 Art des Abschluß: -

Veranstaltung

einblenden:

Entscheidung

einblenden:

Projektinformation

einblenden:

Quelle 1

einblenden:
ausblenden:
Titel: Journal of the American Chemical Society
  Andere : J. Am. Chem. Soc.
  Kurztitel : JACS
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: American Chemical Society
Seiten: - Band / Heft: 135 (51) Artikelnummer: - Start- / Endseite: 19222 - 19228 Identifikator: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870