Electronic States of Defect Sites of Graphene Model Compounds: A DFT and Direct Molecular Orbital−Molecular Dynamics Study

Tachikawa, Hiroto; Kawabata, Hiroshi

doi:10.1021/jp900365h

Public

Electronic States of Defect Sites of Graphene Model Compounds: A DFT and Direct Molecular Orbital−Molecular Dynamics Study

Published in The Journal of Physical Chemistry C • Apr 8, 2009

Authors:

Hiroto Tachikawa

Hiroshi Kawabata

Abstract

Electronic states of normal graphene, the defective graphene (one carbon atom is removed from the normal graphene), the defective graphene anion (defective graphene plus an excess electron), and the defective graphene cation (defective graphene plus one hole) have been investigated by means of densi...

Subject

Graphene

Delocalized electron

Vacancy defect

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