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Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations
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 C(3)N(4) 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.
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Self-citation
Metadata
- Authors
- Du, A., Zhu, Z., & Smith, S. C.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2010-02-15
- Volume
- 132
- Issue
- 9
- Pages
- 2876-2877
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2075258945
- Cited by
- 340
- References
- 23
- FWCI
- 13.59
- Type
- journal article
- Language
- en
- Open access
- closed
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