SnO2 nanograins Au-doped: A quantum mechanical evaluation of CO adsorption (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• SnO2 nanograins Au-doped: A quantum mechanical evaluation of CO adsorption (Articolo in rivista) (literal)

Anno

• 2007-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1016/j.physe.2006.08.006 (literal)

Alternative label

• Mazzone AM, Morandi V (2007)
  SnO2 nanograins Au-doped: A quantum mechanical evaluation of CO adsorption
  in Physica. E, Low-dimensional systems and nanostructures (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Mazzone AM, Morandi V (literal)

Pagina inizio

• 287 (literal)

Pagina fine

• 291 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 37 (literal)

Rivista

• Physica. E, Low-dimensional systems and nanostructures (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 1-2 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• IMM-CNR (literal)

Titolo

• SnO2 nanograins Au-doped: A quantum mechanical evaluation of CO adsorption (literal)

Abstract

• In this study an analysis is made of the adsorption properties of nanocrystalline SnO2 containing a metallic dopant. The analysis is based on semi-empirical Hartree-Fock and scattering theories and the structures considered are SnO2 grains, with a rutile lattice, whose size and shape are comparable with the nanograins and nanowires produced in experiments. The grains contain rows of gold atoms located externally, on the grain surface, or in an endohedral position, in the grain interior, and the adsorbed system is generated by depositing CO molecules on the grain surface. The calculations illustrate the dependence of the binding energies and of the conductance on the grain size and on the location of the metallic additives in both the clean and in the CO-adsorbed grains. These results show that adsorption and current transport are determined by the intrinsic electronic structure of the adsorbing grains. (literal)

Prodotto di

• Sviluppo di Modelli Fisici, Simulazioni e Tecniche di Caratterizzazione per le Nanoscienze (MD.P05.004.001) (Modulo)
• Institute for microelectronics and microsystems (IMM) (Istituto)

Autore CNR

• VITTORIO MORANDI (Persona)
• ANNA MARIA MAZZONE (Persona)

Incoming links:

Prodotto

• Institute for microelectronics and microsystems (IMM) (Istituto)
• Sviluppo di Modelli Fisici, Simulazioni e Tecniche di Caratterizzazione per le Nanoscienze (MD.P05.004.001) (Modulo)

Autore CNR di

• VITTORIO MORANDI (Persona)
• ANNA MARIA MAZZONE (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physica. E, Low-dimensional systems and nanostructures (Rivista)