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

Seung Bum Suh, Byung Hee Hong, P. Tarakeshwar, Suk Joo Youn, Sukmin Jeong, and Kwang S. Kim
Phys. Rev. B 67, 241402(R) – Published 13 June 2003
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Abstract

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.

  • Received 25 February 2003

DOI:https://doi.org/10.1103/PhysRevB.67.241402

©2003 American Physical Society

Authors & Affiliations

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

  • National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry and Department of Physics, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea

  • *Electronic address: kim@postech.ac.kr

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Vol. 67, Iss. 24 — 15 June 2003

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