The DOI matches its Crossref record; 34 of the 34 references it cites were found in a registry or an index.
First-principles investigation of graphene fluoride and graphane
Open accessAbstract
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Young's moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F.
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Cites
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Cited by
Group IV Graphene- and Graphane-Like Nanosheets
Garcia, J. C., de Lima, D. B., Assali, L. V. C., & Justo, J. F. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp203657w · Cited by 334
Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials
Choi, J.-H., Cui, P., Lan, H., & Zhang, Z. (2015) · Physical Review Letters · doi:10.1103/physrevlett.115.066403 · Cited by 258
Metadata
- Authors
- Leenaerts, O., Peelaers, H., Hernández-Nieves, A. D., Partoens, B., & Peeters, F. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2010-11-18
- Volume
- 82
- Issue
- 19
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2047261991
- Cited by
- 462
- References
- 34
- FWCI
- 19.00
- Type
- journal article
- Language
- en
- Open access
- bronze
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
