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Title of Journal: J Math Chem

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Abbravation: Journal of Mathematical Chemistry

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Springer Netherlands

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DOI

10.1016/j.apmr.2012.09.012

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ISSN

1572-8897

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Topology and electronic structure of nanotube junc

Authors: Kyoko Nakada Kenji Maeda Kota Daigoku
Publish Date: 2008/08/19
Volume: 45, Issue: 2, Pages: 460-470
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Abstract

We propose a series of carbon nanostructures in the shape of tetrapod as a kind of threedimensional junction for carbon nanotubes The tetrapod junctions are such open networks that are made of sp2 carbon atoms only have negative Gaussian curvature and connect four nanotubes together We define the structure of standard tetrapod junctions the simplest one that have 12 heptagons other than hexagons and have the Td symmetryOur tightbinding energyband calculations for the standard tetrapod junctions of smaller sizes show that their electronic property mainly depends on one particular topological factor the junctions having a carbon atom in the center of each triangular face of tetrahedron exhibit metallic band structure while the junctions having a benzene ring in the center of the faces are semiconductors We also find that tetrapod junctions connecting 60 nanotubes exhibit a flat band near the Fermi energy in a particular momentum region The origin of the flat band states can be figured out from the wavefunction distribution We also show the possibility to extend the standard tetrapod junctions to some nonstandard ones that can connect nanotubes of different kinds and/or radii

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