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Preserving the Edge Magnetism of Zigzag Graphene Nanoribbons by Ethylene Termination: Insight by Clar's Rule
By means of density functional theory computations, we demonstrated that C(2)H(4) is the ideal terminal group for zigzag graphene nanoribbons (zGNRs) in terms of preserving the edge magnetism with experimental feasibility. The C(2)H(4) terminated zGNRs (C(2)H(4)-zGNRs) with pure sp(2) coordinated ed...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3686159/ https://www.ncbi.nlm.nih.gov/pubmed/23778381 http://dx.doi.org/10.1038/srep02030 |