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Hydrogen storage capability of carbon nanotube Be@C-120
Date
2004-12-01
Author
Turker, L
Eroglu, I
Yucel, M
Gündüz, Ufuk
Metadata
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PM3 (RHF) type semiempirical quantum chemical calculations have been carried out on (nH(2) + Be)@C-120 Systems where C-120 is a capped tube and n less than or equal to 15. The results indicate that all these systems are stable but endothermic in nature. (7H(2) + Be)@C-120 system has the lowest heat of formation value. (C) 2004 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
Subject Keywords
Hydrogen storage
,
Nanotubes
,
Endohedral doping
,
Beryllium
,
Hydrogen
,
PM3 calculations
URI
https://hdl.handle.net/11511/31509
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
DOI
https://doi.org/10.1016/j.ijhydene.2004.02.017
Collections
Graduate School of Natural and Applied Sciences, Article
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L. Turker, I. Eroglu, M. Yucel, and U. Gündüz, “Hydrogen storage capability of carbon nanotube Be@C-120,”
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
, pp. 1643–1647, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/31509.