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Faraday Discuss. 2014;173:173-99. doi: 10.1039/c4fd00073k.

Role of edge geometry and chemistry in the electronic properties of graphene nanostructures.

Faraday discussions

Shintaro Fujii, Maxim Ziatdinov, Misako Ohtsuka, Koichi Kusakabe, Manabu Kiguchi, Toshiaki Enoki

Affiliations

  1. Department of Chemistry, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551, Japan. [email protected] [email protected].

PMID: 25466581 DOI: 10.1039/c4fd00073k

Abstract

The geometry and chemistry of graphene nanostructures significantly affects their electronic properties. Despite a large number of experimental and theoretical studies dealing with the geometrical shape-dependent electronic properties of graphene nanostructures, experimental characterisation of their chemistry is clearly lacking. This is mostly due to the difficulties in preparing chemically-modified graphene nanostructures in a controlled manner and in identifying the exact chemistry of the graphene nanostructure on the atomic scale. Herein, we present scanning probe microscopic and first-principles characterisation of graphene nanostructures with different edge geometries and chemistry. Using the results of atomic scale electronic characterisation and theoretical simulation, we discuss the role of the edge geometry and chemistry on the electronic properties of graphene nanostructures with hydrogenated and oxidised linear edges at graphene boundaries and the internal edges of graphene vacancy defects. Atomic-scale details of the chemical composition have a strong impact on the electronic properties of graphene nanostructures, i.e., the presence or absence of non-bonding π states and the degree of resonance stability.

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