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

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Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.26, no.8, pp.837-842, 2001 (SCI-Expanded)

• 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.