Electronic structure of silver subnanowires in self-assembled organic nanotubes: Density functional calculations

Seung Bum Suh, Byung Hee Hong, Tarakeshwar Pilarisetty, Suk Joo Youn, Sukmin Jeong, Kwang S. Kim

Research output: Contribution to journalArticle

35 Scopus citations


We use first principles calculations to investigate the structure and electronic properties of ultrathin silver (Ag) nanowires self-synthesized in organic calix[4]hydroquinone (CHQ) nanotubes. The insulating CHQ nanotubes get transformed to semiconducting calix[4]diquinone-dihydroquinone (CQHQ) tubes in the presence of Ag. These encapsulated nanowires have linear crystalline structure. The electron density around the Fermi level is localized on the Ag nanowire. This indicates that the organic tubes act as shields between Ag nanowires, and the quantum confinement is possible in the encapsulated Ag nanowires like in quantum dots.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number24
StatePublished - Jun 13 2003
Externally publishedYes


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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