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Cited by 249

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Light non-metallic atom (B, N, O and F)-doped graphene: a first-principles study

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Wu, M, Cao, C, Jiang, J Z·2010·Nanotechnology

Abstract

First-principles calculations are performed to study the geometry, electronic structure and magnetic properties of light non-metallic atom-doped graphene (B, N, O and F). The planar structure and the quasi-linear energy dispersion near the Dirac point remain through doping with B and N atoms, by which p-type doping and n-type doping graphene are respectively induced. A bandgap of about 0.5 eV is generated through O doping, and geometrically the O atom is also in the graphene plane. No magnetic moment is detected in B- , N- and O-doped graphene. For F doping, the F atom bonds with one of the carbon atoms close to the vacancy, with the other two carbon atoms undergoing a Jahn-Teller distortion. A weak polarized magnetic moment of 0.71 µ(B) is detected through F doping.

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Crossref · 10.1088/0957-4484/21/50/505202

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Metadata

Authors
Wu, M., Cao, C., & Jiang, J. Z.
Venue
Nanotechnology
Published
2010-11-22
Volume
21
Issue
50
Pages
505202
ISSN
  • 0957-4484 (ISSN-L)
  • 1361-6528
OpenAlex
W1996634329
Cited by
249
References
2
FWCI
6.33
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Light non-metallic atom (B, N, O and F)-doped graphene: a first-principles study. https://app.cochat.ai/papers/10.1088/0957-4484/21/50/505202
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Wu, M., Cao, C., & Jiang, J. Z. (2010). Light non-metallic atom (B, N, O and F)-doped graphene: a first-principles study. Nanotechnology. https://doi.org/10.1088/0957-4484/21/50/505202

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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.