Geometric and electronic structure of closed graphene edges

Alejandro Lopez-Bezanilla, Jessica Campos-Delgado, Bobby G. Sumpter, Daniel L. Baptista, Takuya Hayashi, Yoong A. Kim, Hiroyuki Muramatsu, Morinobu Endo, Carlos A. Achete, Mauricio Terrones Maldonado, Vincent Meunier

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Abstract

We report theoretical and experimental results on single and multiple looped graphene sheets. Experimental images of stable closed-edge structures in few-layer graphene samples obtained by high-resolution transmission electron microscopy (HRTEM) are compared with first-principles density functional theory calculations. We demonstrate that the electronic structure of a graphene nanoribbon is not significantly perturbed upon closing. By contrast, a significant modulation of the electronic structure is observed for closed-edge graphene structures deposited on a planar graphene substrate. This effect is due to an enhanced reactivity of the looped (coalesced) edges observed experimentally. The coexistence of different degrees of curvature in the graphene sheet induced by folding indicates that these materials could be used for surface chemistry engineering.

Original languageEnglish (US)
Pages (from-to)2097-2102
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume3
Issue number15
DOIs
StatePublished - Aug 2 2012

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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    Lopez-Bezanilla, A., Campos-Delgado, J., Sumpter, B. G., Baptista, D. L., Hayashi, T., Kim, Y. A., Muramatsu, H., Endo, M., Achete, C. A., Terrones Maldonado, M., & Meunier, V. (2012). Geometric and electronic structure of closed graphene edges. Journal of Physical Chemistry Letters, 3(15), 2097-2102. https://doi.org/10.1021/jz300695h