Geometric and Electronic Structure of Closed Graphene Edges

被引：18

作者：

Lopez-Bezanilla, Alejandro ^{[1
]}

Campos-Delgado, Jessica ^{[2
]}

Sumpter, Bobby G. ^{[1
]}

Baptista, Daniel L. ^{[2
]}

Hayashi, Takuya ^{[3
]}

Kim, Yoong A. ^{[3
]}

Muramatsu, Hiroyuki ^{[3
]}

Endo, Morinobu ^{[3
]}

Achete, Carlos A. ^{[2
]}

Terrones, Mauricio ^{[4
,5
]}

Meunier, Vincent ^{[6
,7
]}

机构：

[1] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

[2] Natl Inst Metrol, Div Mat Metrol, Xerem, Duque De Caxias, Brazil

[3] Shinshu Univ, ICST Inst Carbon Sci & Technol, Nagano, Japan

[4] Penn State Univ, Dept Phys, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[5] Penn State Univ, Mat Res Inst, Davey Lab 104, University Pk, PA 16802 USA

[6] Rensselaer Polytech Inst, Dept Phys Astron & Appl Phys, Troy, NY 12180 USA

[7] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2012年 / 3卷 / 15期

关键词：

CARBON NANOTUBES; THERMAL-STABILITY; CHARGE-TRANSPORT; LOOP FORMATION; FUNCTIONALIZATION; NANORIBBONS; CHEMISTRY; GRAPHITE; SINGLE; ZIGZAG;

D O I：

10.1021/jz300695h

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：2097 / 2102

页数：6

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