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Diborane-tetraborane conversion in C-60 vesicles - a theoretical study
Date
2001-08-01
Author
Türker, Burhan Lemi
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
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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.
Subject Keywords
Hydrogen storage
,
Diborane
,
Tetraborane
,
C60
,
Endohedral doping
,
AM1 calculations
URI
https://hdl.handle.net/11511/62296
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
DOI
https://doi.org/10.1016/s0360-3199(01)00016-7
Collections
Department of Chemistry, Article