First-Principles Investigations of InN Nonpolar Surface Functionalization (Articolo in rivista)

Type
Label
  • First-Principles Investigations of InN Nonpolar Surface Functionalization (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp811148z (literal)
Alternative label
  • Terentjevs A. a; Cicero G. b; Catellani A. c (2009)
    First-Principles Investigations of InN Nonpolar Surface Functionalization
    in Journal of physical chemistry. C; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Terentjevs A. a; Cicero G. b; Catellani A. c (literal)
Pagina inizio
  • 11323 (literal)
Pagina fine
  • 11328 (literal)
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  • 113 (literal)
Rivista
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  • In: Journal of Physical Chemistry C, vol. 113 (26) pp. 11323 - 11328. American Chemical Society, 2009. (literal)
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  • 26 (literal)
Note
  • ISI Web of Science (WOS) (literal)
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  • a Department of Physics, Politecnico di Torino, Italy; b Department of Materials Science and Chemical Engineering, Politecnico di Torino, Italy; c CNR-IMEM, Parma, Italy (literal)
Titolo
  • First-Principles Investigations of InN Nonpolar Surface Functionalization (literal)
Abstract
  • In this paper we present a theoretical investigation of the InN nonpolar surface functionalization and propose a grafting mechanism for different functional groups. Ab initio calculations were first applied to explore the electronic properties of clean surfaces; afterward, they were employed to address InN nonpolar surface functionalization. InN surfaces were found to be highly reactive upon exposure to the most common functional groups: methanethiol (CH3−SH), acetic acid (CH3−COOH), methylamine (CH3−NH2), and methanol (CH3−OH). They all strongly bind to the surface with exothermic reaction. (literal)
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