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Structural and Electronic Properties of Fluorographene
Abstract
The structural and electronic characteristics of fluorinated graphene are investigated based on first‐principles density‐functional calculations. A detailed analysis of the energy order for stoichiometric fluorographene membranes indicates that there exists prominent chair and stirrup conformations, which correlate with the experimentally observed in‐plane lattice expansion contrary to a contraction in graphane. The optical response of fluorographene is investigated using the GW–Bethe–Salpeter equation approach. The results are in good conformity with the experimentally observed optical gap and reveal predominant charge‐transfer excitations arising from strong electron–hole interactions. The appearance of bounded excitons in the ultraviolet region can result in an excitonic Bose–Einstein condensate in fluorographene.
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Cites
Biased Bilayer Graphene: Semiconductor with a Gap Tunable by the Electric Field Effect
Castro, E. V., Novoselov, K. S., Morozov, S. V., Peres, N. M. R., dos Santos, J. M. B. L., Nilsson, J., Guinea, F., Geim, A. K., & Neto, A. H. C. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.216802 · Cited by 2,033
Cited by
Cudazzo, P., Tokatly, I. V., & Rubio, A. (2011) · Physical Review B · doi:10.1103/physrevb.84.085406 · Cited by 687
Two‐Dimensional Fluorinated Graphene: Synthesis, Structures, Properties and Applications
Feng, W., Long, P., Feng, Y., & Li, Y. (2016) · Advanced Science · doi:10.1002/advs.201500413 · Cited by 640
Chemistry, properties, and applications of fluorographene
Chronopoulos, D. D., Bakandritsos, A., Pykal, M., Zbořil, R., & Otyepka, M. (2017) · Applied Materials Today · doi:10.1016/j.apmt.2017.05.004 · Cited by 284
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
- Samarakoon, D. K., Chen, Z., Nicolas, C., & Wang, X.
- Venue
- Small
- Publisher
- Wiley
- Published
- 2011-02-22
- Volume
- 7
- Issue
- 7
- Pages
- 965-969
- ISSN
- 1613-6810 (ISSN-L)
- 1613-6829
- OpenAlex
- W1988218115
- Cited by
- 209
- References
- 1
- FWCI
- 11.31
- Type
- journal article
- Language
- en
- Open access
- closed
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- Samarakoon, D. K., Chen, Z., Nicolas, C., & Wang, X. (2011). Structural and Electronic Properties of Fluorographene. Small. https://doi.org/10.1002/smll.201002058
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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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