The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Structure, Stability, Edge States, and Aromaticity of Graphene Ribbons
Open accessAbstract
We determine the stability, the geometry, the electronic, and magnetic structure of hydrogen-terminated graphene-nanoribbon edges as a function of the hydrogen content of the environment by means of density functional theory. Antiferromagnetic zigzag ribbons are stable only at extremely low ultravacuum pressures. Under more standard conditions, the most stable structures are the mono- and dihydrogenated armchair edges and a zigzag edge reconstruction with one di- and two monohydrogenated sites. At high hydrogen concentration "bulk" graphene is not stable and spontaneously breaks to form ribbons, in analogy to the spontaneous breaking of graphene into small-width nanoribbons observed experimentally in solution. The stability and the existence of exotic edge electronic states and/or magnetism is rationalized in terms of simple concepts from organic chemistry (Clar's rule).
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Electric Field Effect in Atomically Thin Carbon Films
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Zhang, Y., Dubonos, S. V., Grigorieva, I. V., & Firsov, A. A. (2004) · Science · doi:10.1126/science.1102896 · Cited by 66,834
Cited by
Georgakilas, V., Perman, J. A., Tucek, J., & Zboril, R. (2015) · Chemical Reviews · doi:10.1021/cr500304f · Cited by 2,147
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
Anomalous Doping Effects on Charge Transport in Graphene Nanoribbons
Biel, B., Blase, X., Triozon, F., & Roche, S. (2009) · Physical Review Letters · doi:10.1103/physrevlett.102.096803 · Cited by 342
Chen, W., Li, Y., Yu, G., Li, C.-Z., Zhang, S. B., Zhou, Z., & Chen, Z. (2010) · Journal of the American Chemical Society · doi:10.1021/ja908475v · Cited by 288
Metadata
- Authors
- Wassmann, T., Seitsonen, A. P., Saitta, A. M., Lazzeri, M., & Mauri, F.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2008-08-27
- Volume
- 101
- Issue
- 9
- Pages
- 096402-096402
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2047737709
- Cited by
- 639
- References
- 2
- FWCI
- 20.55
- Type
- journal article
- Language
- en
- Open access
- green
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- Wassmann, T., Seitsonen, A. P., Saitta, A. M., Lazzeri, M., & Mauri, F. (2008). Structure, Stability, Edge States, and Aromaticity of Graphene Ribbons. Physical Review Letters. https://doi.org/10.1103/physrevlett.101.096402
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