論文

査読有り
2013年10月

Empirical Prediction of Electronic Potentials of Single-Walled Carbon Nanotubes With a Specific Chirality (n,m)

SCIENTIFIC REPORTS
  • Yasuhiko Hirana
  • ,
  • Gergely Juhasz
  • ,
  • Yuhei Miyauchi
  • ,
  • Shinichiro Mouri
  • ,
  • Kazunari Matsuda
  • ,
  • Naotoshi Nakashima

3
開始ページ
2959
終了ページ
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1038/srep02959
出版者・発行元
NATURE PUBLISHING GROUP

The determination of the electronic states of single-walled carbon nanotubes (SWNTs) with a specific chirality has been a central issue in the science of SWNTs. Here we present the empirical equations with fitting parameters for the determination of the reduction and oxidation potentials of SWNTs for a wide range of diameters and chiral angles. In these equations, a distinct chirality family dependence of the reduction potentials is observed, while the oxidation potentials show a simple diameter dependence nearly proportional to the inversed nanotube diameter. Based on observations of the asymmetric chirality dependence between the reduction and oxidation potentials, the Fermi levels of the SWNTs were revealed to have a definite chirality family dependence, which indicates that the work functions of the SWNTs with small diameters deviate from the values for the large diameter SWNTs and graphene. We also performed quantum chemical calculations to compare the experiment to the calculations.

リンク情報
DOI
https://doi.org/10.1038/srep02959
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000325701400007&DestApp=WOS_CPL
ID情報
  • DOI : 10.1038/srep02959
  • ISSN : 2045-2322
  • Web of Science ID : WOS:000325701400007

エクスポート
BibTeX RIS