Issue 6, 2010
From the journal:

Chemical Communications

Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials†

H. Y. Wu,a   X. F. Fan,a   Jer-Lai Kuo*ac  and  Wei-Qiao Deng*b  

* Corresponding authors

a Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371

b Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P.R. China
E-mail: dengwq@dicp.ac.cn

c Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan
E-mail: jlkuo@ntu.edu.sg

Abstract

By the incorporation of C atoms into (BN)12 fullerene, our theoretical investigation shows that carbon doped boron nitride cages (BNC) can achieve a high hydrogen storage amount of 7.43 wt%, and dehydrogenation of the corresponding BNC hydrides (BNCH) is thermodynamically favored for practical applications of hydrogen energy, making BNC competitive candidates for hydrogen storage materials.

Graphical abstract: Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials

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Article information

DOI
https://doi.org/10.1039/B911503J
Article type
Communication
Submitted
12 Jun 2009
Accepted
17 Nov 2009
First published
07 Dec 2009

Chem. Commun., 2010,46, 883-885

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Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials

H. Y. Wu, X. F. Fan, J. Kuo and W. Deng, Chem. Commun., 2010, 46, 883 DOI: 10.1039/B911503J

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