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; Vincent Meunier

doi:10.1021/jz300695h

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, Vincent Meunier

Center for Nanophase Matls Sciences

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

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 language	English
Pages (from-to)	2097-2102
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	3
Issue number	15
DOIs	https://doi.org/10.1021/jz300695h
State	Published - Aug 2 2012

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10.1021/jz300695h

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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.",

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T1 - Geometric and electronic structure of closed graphene edges

AU - Lopez-Bezanilla, Alejandro

AU - Campos-Delgado, Jessica

AU - Sumpter, Bobby G.

AU - Baptista, Daniel L.

AU - Hayashi, Takuya

AU - Kim, Yoong A.

AU - Muramatsu, Hiroyuki

AU - Endo, Morinobu

AU - Achete, Carlos A.

AU - Terrones, Mauricio

AU - Meunier, Vincent

PY - 2012/8/2

Y1 - 2012/8/2

N2 - 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.

AB - 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.

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Geometric and electronic structure of closed graphene edges

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