Abstract and Keywords
This article examines how internal space and boundary shapes affect the electronic properties of carbon nanomaterials by conducting total-energy electronic-structure calculations based on the density-functional theory. It first considers the existence of nanospace in carbon peapods before discussing boundaries in planar and tubular nanostructures. It also describes double-walled nanotubes, defects in carbon nanotubes, and hybrid structures of carbon nanotubes. Finally, it discusses the magnetic properties of zigzag-edged graphene ribbons and carbon nanotubes as well as the essential role of the edge state. The article shows that both space and peas (fullerenes) are decisive in electronic properties. In carbon peapods, nearly free-electron states occurring in the internal space hybridize with carbon orbitals and then make the peapod a new multicarrier system. The edge state belongs to a new class of electron states that is inherent to zigzag borders in hexagonally bonded networks.
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