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Structural and Electronic Properties of Oxidized Graphene
Open accessAbstract
We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified, which contain epoxide and hydroxyl groups in close proximity with each other. Different arrangements of these units yield a local-density approximation band gap over a range of a few eV. These results suggest the possibility of creating and tuning the band gap in graphene by varying the oxidation level and the relative amount of epoxide and hydroxyl functional groups on the surface.
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Cited by
Preparation of carbon dots by non-focusing pulsed laser irradiation in toluene
Yu, H., Li, X., Zeng, X., & Lu, Y. (2016) · Chemical Communications · doi:10.1039/c5cc08384b · Cited by 122
Cencerrero, J., Romero, A., de Lucas-Consuegra, A., de la Osa, A. R., & Sánchez, P. (2023) · FlatChem · doi:10.1016/j.flatc.2023.100554 · Cited by 11
Metadata
- Authors
- Yan, J.-A., Xian, L., & Chou, M. Y.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2009-08-21
- Volume
- 103
- Issue
- 8
- Pages
- 086802-086802
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1987247485
- Cited by
- 529
- References
- 1
- FWCI
- 15.31
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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