• 文献标题:   Geometric and Electronic Structure of Closed Graphene Edges
  • 文献类型:   Article
  • 作  者:   LOPEZBEZANILLA A, CAMPOSDELGADO J, SUMPTER BG, BAPTISTA DL, HAYASHI T, KIM YA, MURAMATSU H, ENDO M, ACHETE CA, TERRONES M, MEUNIER V
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY LETTERS
  • ISSN:   1948-7185
  • 通讯作者地址:   Oak Ridge Natl Lab
  • 被引频次:   9
  • DOI:   10.1021/jz300695h
  • 出版年:   2012

▎ 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.