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

Onay, Aytun; ERKOÇ, ŞAKİR

doi:10.1166/jctn.2009.1128

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

Atıf İçin Kopyala

Onay A. K., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, cilt.6, sa.4, ss.933-941, 2009 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 6 Sayı: 4
Basım Tarihi: 2009
Doi Numarası: 10.1166/jctn.2009.1128
Dergi Adı: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.933-941
Orta Doğu Teknik Üniversitesi Adresli: Evet

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.