Diborane-tetraborane conversion in C-60 vesicles - a theoretical study
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.26, no.8, pp.837-842, 2001 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 26 Issue: 8
- Publication Date: 2001
- Doi Number: 10.1016/s0360-3199(01)00016-7
- Journal Name: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Page Numbers: pp.837-842
- Middle East Technical University Affiliated: No
Abstract
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.