Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes (Articolo in rivista)

Type
Label
  • Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.1947768 (literal)
Alternative label
  • L. Lozzi a; S. Picozzi a; I. Armentano b; L. Valentini b; J. M. Kenny b; S. La Rosa c; M. Coreno d; M. de Simone e; B. Delley f; S. Santucci g (2005)
    Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • L. Lozzi a; S. Picozzi a; I. Armentano b; L. Valentini b; J. M. Kenny b; S. La Rosa c; M. Coreno d; M. de Simone e; B. Delley f; S. Santucci g (literal)
Pagina inizio
  • 034702 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 123 (literal)
Rivista
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
  • Google Scholar (literal)
  • Virtual Journal of Nanoscale Science & Technology (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • a Istituto Nazionale per la Fisica della Materia-Consiglio Nazionale delle Ricerche (INFM-CNR) & Department of Physics, University of L'Aquila, L'Aquila, Via Vetoio, I-67010 Coppito, Italy b Materials Engineering Center, University of Perugia, Pentima Bassa, 05100 Terni, Italy c Sincrotrone Trieste SCpa, Basovizza, 34012 Trieste, Italy d Consiglio Nazionale delle Ricerche-Istituto di Metodologie Inorganiche c/o Gas Phase Beamline, Sincrotrone Trieste, Bosovizza, 34012, Trieste, Italy e TASC Istituto Nazionale per la Fisica della Materia (TASC-INFM), c/o Gas Phase Beamline, Sincrotrone Trieste, Basovizza, 34012 Trieste, Italy f Paul Scherrer Institut, Ch-5232 Villigen, Switzerland g Istituto Nazionale per la Fisica della Materia-Consiglio Nazionale delle Ricerche (INFM-CNR) and Department of Physics, University of L'Aquila, L'Aquila, Via Vetoio, I-67010 Coppito, Italy (literal)
Titolo
  • Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes (literal)
Abstract
  • The adsorption of NO2 molecules on defective multiwalled carbon nanotubes has been studied by soft-x-ray photoemission. The valence band and carbon core-level spectra have been acquired before, during, and after NO2 exposure. The spectra show a reversible decrease of the density of states at the top of the valence band when NO2 molecules are adsorbed on the ?carbon nanotubes? CNTs. No shift of the C 1s spectra has been observed. Theoretical calculations, using density-functional theory, have been performed on the CNT+NO2 system, considering semiconducting nanotubes with different diameters and introducing a Stone-Wales ?Chem. Phys. Lett. 128, 501 ?1986?? defect. The calculation confirms the decrease of the density of states at the top of the valence band in the CNT+NO2 system, while close to the adsorption site new states appear very close to the Fermi level. (literal)
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