Diborane-tetraborane conversion in C-60 vesicles - a theoretical study


Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, cilt.26, ss.837-842, 2001 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 26 Konu: 8
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1016/s0360-3199(01)00016-7
  • Dergi Adı: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  • Sayfa Sayıları: ss.837-842

Özet

Diborane-tetraborane conversion in a C-60 cage is theoretically considered by using AM1-RHF type semiempirical quantum chemical approach. Molecular orbital characteristics of some endohedrally boron hydride doped C-60 composite systems are investigated and the likeliness of diborane-tetraborane conversion in a C-60 vesicle for the purpose of hydrogen storage is discussed. (C) 2001 International Association for Hydrogen Energy. Published by Elsevier Science Ltd. All rights reserved.