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Fullerene based devices for molecular electronics

Cuniberti, Gianaurelio ; Gutiérrez, Rafael ; Fagas, Giorgos ; Grossmann, Frank ; Richter, Klaus ; Schmidt, Rüdiger
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arXiv PDF (23.08.2001)
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Date of publication of this fulltext: 05 Aug 2009 13:29



Abstract

We have investigated the electronic properties of a C60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of interfacial bonds. Molecular ...

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