Multifunctional porous graphene for nanoelectronics and hydrogen storage : new properties revealed by first principle calculations

Du, Aijun, Zhu, Zhonghua, & Smith, Sean C. (2010) Multifunctional porous graphene for nanoelectronics and hydrogen storage : new properties revealed by first principle calculations. Journal of the American Chemical Society, 132(9), pp. 2876-2877.

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Abstract

The lack of an obvious “band gap” is a formidable hurdle for making a nanotransistor from graphene. Here, we use density functional calculations to demonstrate for the first time that porosity such as evidenced in recently synthesized porous graphene (http://www.sciencedaily.com/releases/2009/11/091120084337.htm) opens a band gap. The size of the band gap (3.2 eV) is comparable to most popular photocatalytic titania and graphitic C3N4 materials. In addition, the adsorption of hydrogen on Li-decorated porous graphene is much stronger than that in regular Li-doped graphene due to the natural separation of Li cations, leading to a potential hydrogen storage gravimetric capacity of 12 wt %. In light of the most recent experimental progress on controlled synthesis, these results uncover new potential for the practical application of porous graphene in nanoelectronics and clean energy.

Impact and interest:

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156 citations in Web of Science®

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ID Code: 58938
Item Type: Journal Article
Refereed: Yes
DOI: 10.1021/ja100156d
ISSN: 1520-5126
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2010 American Chemical Society
Deposited On: 10 Apr 2013 23:19
Last Modified: 10 May 2013 05:36

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