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Half-Metallicity in Edge-Modified Zigzag Graphene Nanoribbons
Abstract
Graphene is an important material with potential application in spintronics. Edge-modified zigzag graphene nanoribbons (ZGNR) are investigated with density functional theory. The modifications are realized by saturating the dangling edge bonds by different terminal groups, such as H, NH2, NO2, and CH3. Such modification has a significant impact on the ZGNR electronic structure. Half-metallicity is observed when ZGNR is terminated by NO2 groups at one edge and by CH3 groups on the other side. Free energy analysis suggests that edge-modification is a practical way in experiment to realize half-metallicity.
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Citations
Cites
Electric Field Effect in Atomically Thin Carbon Films
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Experimental observation of the quantum Hall effect and Berry's phase in graphene
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Cited by
Loh, K. P., Bao, Q., Ang, P. K., & Yang, J. (2010) · Journal of Materials Chemistry · doi:10.1039/b920539j · Cited by 1,450
Self-citationMoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties
Li, Y., Zhou, Z., Zhang, S., & Chen, Z. (2008) · Journal of the American Chemical Society · doi:10.1021/ja805545x · Cited by 986
Structure of graphene and its disorders: a review
Yang, G., Li, L., Lee, W. B., & Ng, M. C. (2018) · Science and Technology of Advanced Materials · doi:10.1080/14686996.2018.1494493 · Cited by 759
Zeng, M., Xiao, Y., Liu, J., Yang, K., & Fu, L. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00633 · Cited by 574
Electronic states of graphene nanoribbons and analytical solutions
Wakabayashi, K., Sasaki, K.-I., Nakanishi, T., & Enoki, T. (2010) · Science and Technology of Advanced Materials · doi:10.1088/1468-6996/11/5/054504 · Cited by 420
Metadata
- Authors
- Kan, E.-J., Li, Z., Yang, J., & Hou, J. G.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-03-11
- Volume
- 130
- Issue
- 13
- Pages
- 4224-4225
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1996602005
- Cited by
- 682
- References
- 3
- FWCI
- 25.60
- Type
- journal article
- Language
- en
- Open access
- closed
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- Kan, E.-J., Li, Z., Yang, J., & Hou, J. G. (2008). Half-Metallicity in Edge-Modified Zigzag Graphene Nanoribbons. Journal of the American Chemical Society. https://doi.org/10.1021/ja710407t
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