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, cilt.6, ss.933-941, 2009 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 6 Konu: 4
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1166/jctn.2009.1128
  • Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
  • Sayfa Sayıları: ss.933-941

Özet

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.