Hydrogen storage behavior of C-116 system - AM1 treatment

Date

2003-10-01

Author

Türker, Burhan Lemi

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The strong dimer Of C-60, C-116, is considered for the hydrogen storage purpose. Its molecular structure possesses three distinct compartments. By using two different techniques at the molecular level, various numbers of hydrogen molecules are inserted into C-116 molecule and then the corresponding composite systems are geometry optimized by using a semiempirical quantum chemical method (AM1-RHF approach) and the distribution of the hydrogens among the compartments are investigated. All the structures have been found to be stable but endothermic in nature. (C) 2003 International Association for Hydrogen Energy. Published by Elsevier Science Ltd. All rights reserved.

Subject Keywords

Hydrogen storage, C-116, Strong dimer of C-60, Carbon material, Nanotubes

URI

https://hdl.handle.net/11511/62323

Journal

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Hydrogen storage behavior of C-116 system - AM1 treatment,” INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, pp. 1115–1119, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62323.