Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO2(110) subsurface (Articolo in rivista)

Type
Label
  • Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO2(110) subsurface (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Alternative label
  • Domenichini, B; Rizzi, GA; Kruger, P; Della Negra, M; Li, ZS; Petukhov, M; Granozzi, G; Moller, PJ; Bourgeois, S (2006)
    Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO2(110) subsurface
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Domenichini, B; Rizzi, GA; Kruger, P; Della Negra, M; Li, ZS; Petukhov, M; Granozzi, G; Moller, PJ; Bourgeois, S (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 73 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Bourgogne, CNRS, UMR 5613, Lab Rech Reactiv Solides, F-21078 Dijon, France; Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy; Univ Padua, INFM, Res Unit, CNR, I-35131 Padua, Italy; Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark; Aarhus Univ, Inst Synchrotron Radiat Arhus, DK-8000 Aarhus C, Denmark (literal)
Titolo
  • Experimental and theoretical evidence for substitutional molybdenum atoms in the TiO2(110) subsurface (literal)
Abstract
  • Molybdenum was deposited at room temperature on the TiO2(110) surface in the 0-1.3 equivalent monolayer (eqML) range and was then annealed at 400 degrees C in order to reach a kind of equilibrium state. A threshold was found in the behavior of the deposit: below 0.2 eqML, substitutional molybdenum occurs in titanium sites located under the bridging oxygen atoms of the TiO2(110) surface. In this position, molybdenum atoms are in a structural and chemical MoO2-like environment. Density-functional theory calculations show that this molybdenum site is actually the most stable one in the case of isolated molybdenum atoms. Angle-scanned photoelectron diffraction data are in perfect agreement with such a hypothesis. For deposits higher than 0.2 eqML, the increased amount of molybdenum atoms raises the probability of Mo-Mo interactions during the annealing at 400 degrees C, taking to a reduction process of the deposit. However, such annealing does not allow the deposit to become fully metallic: molybdenum clusters formed during the annealing are in strong interaction with the substrate, and metallic molybdenum can be obtained only depositing a film thicker than 1 ML. (literal)
Prodotto di
Autore CNR
Insieme di parole chiave

Incoming links:


Autore CNR di
Prodotto
Insieme di parole chiave di
data.CNR.it