NH<inf>3</inf> molecular doping of silicon nanowires grown along the [112], [110], [001], and [111] orientations

Álvaro Miranda, Xavier Cartoixà, Enric Canadell, Riccardo Rurali

Research output: Contribution to journalArticleResearchpeer-review

20 Citations (Scopus)


The possibility that an adsorbed molecule could provide shallow electronic states that could be thermally excited has received less attention than substitutional impurities and could potentially have a high impact in the doping of silicon nanowires (SiNWs). We show that molecular-based ex-situ doping, where NH3 is adsorbed at the sidewall of the SiNW, can be an alternative path to n-type doping. By means of first-principle electronic structure calculations, we show that NH3 is a shallow donor regardless of the growth orientation of the SiNWs. Also, we discuss quantum confinement and its relation with the depth of the NH3 doping state, showing that the widening of the bandgap makes the molecular donor level deeper, thus more difficult to activate. © 2012 Miranda et al.
Original languageEnglish
Pages (from-to)1-6
JournalNanoscale Research Letters
Publication statusPublished - 24 Jul 2012


  • Ammonia
  • DFT
  • Electronic properties
  • Gas sensing
  • Molecular doping
  • Silicon nanowires


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