JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, vol.6, no.4, pp.933-941, 2009 (Journal Indexed in SCI)
Article / Article
Title of Journal :
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
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.