The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Spin Gapless Semiconductor−Metal−Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons
Abstract
The geometries, formation energies, and electronic and magnetic properties of N-doping defects, including single atom substitution and pyridine- and pyrrole-like substructures in zigzag graphene nanoribbons (ZGNRs), were investigated by means of spin-unrestricted density functional theory computations. The edge carbon atoms are more easily substituted with N atoms, and three-nitrogen vacancy (3NV) defect and four-nitrogen divacancy (4ND) defect also prefer the ribbon edge. Single N atom substitution and pyridine- and pyrrole-like N-doping defects can all break the degeneracy of the spin polarization of pristine ZGNRs. One single N atom substitution makes the antiferromagnetic semiconducting ZGNRs into spin gapless semiconductors, while double edge substitution transforms N-doped graphenes into metals. Pyridine- and pyrrole-like N-doping defects make ZGNRs into half-metals or spin gapless semiconductors. These results suggest the potential applications of N-doped ZGNRs in nanoelectronics.
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Cites
Geim, A. K., & Novoselov, K. S. (2007) · Nature Materials · doi:10.1038/nmat1849 · Cited by 39,979
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Two-dimensional atomic crystals
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Chiral tunnelling and the Klein paradox in graphene
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Effects of nitrogenation on single-walled carbon nanotubes within density functional theory
Lim, S. H., Li, R., Ji, W., & Lin, J. (2007) · Physical Review B · doi:10.1103/physrevb.76.195406 · Cited by 106
Cited by
Wang, H., Maiyalagan, T., & Wang, X. (2012) · ACS Catalysis · doi:10.1021/cs200652y · Cited by 3,618
Georgakilas, V., Perman, J. A., Tucek, J., & Zboril, R. (2015) · Chemical Reviews · doi:10.1021/cr500304f · Cited by 2,147
Nitrogen-doped graphene and its electrochemical applications
Shao, Y., Zhang, S., Engelhard, M. H., Li, G., Shao, G., Wang, Y., Liu, J., Aksay, I. A., & Lin, Y. (2010) · Journal of Materials Chemistry · doi:10.1039/c0jm00782j · Cited by 1,123
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Metadata
- Authors
- Li, Y., Zhou, Z., Shen, P., & Chen, Z.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-06-25
- Volume
- 3
- Issue
- 7
- Pages
- 1952-1958
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2088585280
- Cited by
- 542
- References
- 5
- FWCI
- 12.92
- Type
- journal article
- Language
- en
- Open access
- closed
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