Enhancement of H-2 Storage in Carbon Nanotubes via Doping with a Boron Nitride Ring


Onay A. K. , ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.6, no.4, pp.933-941, 2009 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 6 Issue: 4
  • Publication Date: 2009
  • Doi Number: 10.1166/jctn.2009.1128
  • Title of Journal : JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Page Numbers: pp.933-941

Abstract

Hydrogen storage capacity of carbon nanotubes with different chirality have been investigated by performing quantum chemical methods at semiempirical and DFT levels of calculations. It has been found that boron nitrite substitutional doping increases the hydrogen storage capacity of carbon nanotubes.