Ethanol gas sensing mechanism in ZnO Nanowires: An ab initio study (Articolo in rivista)

Type
Label
  • Ethanol gas sensing mechanism in ZnO Nanowires: An ab initio study (Articolo in rivista) (literal)
Anno
  • 2014-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp507478s (literal)
Alternative label
  • Korir, K. K.[ 1,2 ] ; Catellani, A.[ 2,3 ] ; Cicero, G.[ 1,2 ] (2014)
    Ethanol gas sensing mechanism in ZnO Nanowires: An ab initio study
    in Journal of physical chemistry. C. (Online)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Korir, K. K.[ 1,2 ] ; Catellani, A.[ 2,3 ] ; Cicero, G.[ 1,2 ] (literal)
Pagina inizio
  • 24533 (literal)
Pagina fine
  • 24537 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://www.scopus.com/inward/record.url?eid=2-s2.0-84908092946&partnerID=q2rCbXpz (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 118 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 42 (literal)
Note
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • [ 1 ] Politecn Torino, Dipartimento Sci Applicata & Tecnol, I-10129 Turin, Italy [ 2 ] CNR, IMEM, I-43010 Parma, Italy [ 3 ] CNR, Ist Nanosci, Ctr S3, I-41125 Modena, Italy (literal)
Titolo
  • Ethanol gas sensing mechanism in ZnO Nanowires: An ab initio study (literal)
Abstract
  • Solid-state nanostructured gas sensors based on oxide materials play an important role in environmental monitoring, chemical process control, and personal safety. Yet, the underlying operating mechanism is still not well comprehended, while a deeper understanding would possibly lead to the engineering of sensing elements with enhanced sensitivities. Here we present ab initio density functional theory calculations that provide a comprehensive description of the ethanol sensing mechanism for ZnO nanowires: our results reveal that the competitive adsorption at the nanostructure surfaces between the analyte and the oxygen molecules present in the atmosphere induces a switching in surface conductance between semiconducting and conducting behavior that is related to the ethanol concentration and can be detected electronically, thus disclosing the sensing mechanism. (literal)
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