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

Date

2001-08-01

Author

Türker, Burhan Lemi

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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

Collections

Department of Chemistry, Article