Hydrogen storage capability of carbon nanotube Be@C-120

Date

2004-12-01

Author

Turker, L
Eroglu, I
Yucel, M
Gündüz, Ufuk

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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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Citation Formats

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.