Metal atoms and ions at well-defined anatase TiO2 crystals with exposed (1 0 1) and (0 0 1) facets represent a promising platform for fundamental studies in catalysis using model systems of high complexity for the development of novel catalytic systems exhibiting higher than usual activities. Herein, we report the geometric and electronic structures of supported paramagnetic vanadium catalysts obtained by reaction of VCl4 vapours with shape controlled anatase TiO2 supports with preferential (1 0 1) and (0 0 1) facets. Electron Paramagnetic Resonance (EPR) spectroscopy and Density Functional theory (DFT) calculations reveal the presence specific monomeric (VO2+) and dimeric mixed valence (V2O33+) species with molecular structures dependent on the TiO2 surface termination.

Monomeric (VO2+) and dimeric mixed valence (V2O33+) vanadium species at the surface of shape controlled TiO2 anatase nano crystals

Lagostina V.;Romeo E.;Maria Ferrari A.
;
Maurino V.;Chiesa M.
2022-01-01

Abstract

Metal atoms and ions at well-defined anatase TiO2 crystals with exposed (1 0 1) and (0 0 1) facets represent a promising platform for fundamental studies in catalysis using model systems of high complexity for the development of novel catalytic systems exhibiting higher than usual activities. Herein, we report the geometric and electronic structures of supported paramagnetic vanadium catalysts obtained by reaction of VCl4 vapours with shape controlled anatase TiO2 supports with preferential (1 0 1) and (0 0 1) facets. Electron Paramagnetic Resonance (EPR) spectroscopy and Density Functional theory (DFT) calculations reveal the presence specific monomeric (VO2+) and dimeric mixed valence (V2O33+) species with molecular structures dependent on the TiO2 surface termination.
2022
406
28
38
DFT; EPR spectroscopy; SCR catalysis; TiO; 2; Vanadium oxide
Lagostina V.; Romeo E.; Maria Ferrari A.; Maurino V.; Chiesa M.
File in questo prodotto:
File Dimensione Formato  
articolo_TiO2_facce_v11.docx

Accesso aperto

Tipo di file: PREPRINT (PRIMA BOZZA)
Dimensione 1.34 MB
Formato Microsoft Word XML
1.34 MB Microsoft Word XML Visualizza/Apri
1-s2.0-S0021951721005376-main.pdf

Accesso riservato

Tipo di file: PDF EDITORIALE
Dimensione 2.12 MB
Formato Adobe PDF
2.12 MB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/1846921
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? 8
social impact