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See detailFormation and electronic properties of BC3 single-wall nanotubes upon boron substitution of carbon nanotubes
Fuentes, G. G.; Borowiak-Palen, E.; Knupfer, M. et al

in Physical Review B (2004), 69(24),

We report a detailed experimental and theoretical study on the electronic and optical properties of highly boron-substituted (up to 15 at.%) single-wall carbon nanotubes. Core-level electron energy-loss ... [more ▼]

We report a detailed experimental and theoretical study on the electronic and optical properties of highly boron-substituted (up to 15 at.%) single-wall carbon nanotubes. Core-level electron energy-loss spectroscopy reveals that the boron incorporates into the lattice structure of the tubes, transferring similar to1/2 hole per boron atom into the carbon derived unoccupied density of states. The charge transfer and the calculated Fermi-energy shift in the doped nanotubes evidence that a simple rigid-band model can be ruled out and that additional effects such as charge localization and doping induced band-structure changes play an important role at this high doping levels. In optical absorption a new peak appears at 0.4 eV which is independent of the doping level. Compared to the results from a series of ab initio calculations our results support the selective doping of semiconducting nanotubes and the formation of BC3 nanotubes instead of a homogeneous random boron substitution. [less ▲]

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See detailElectronic structure and optical properties of boron doped single-wall carbon nanotubes
Pichler, T.; Borowiak-Palen, E.; Fuentes, G. G. et al

in AIP Conference Proceedings (2003), 685

We present a study of the electronic structure and the optical properties of boron doped single walled carbon nanotubes which have been produced by a substitution reaction from nanotube templates. The ... [more ▼]

We present a study of the electronic structure and the optical properties of boron doped single walled carbon nanotubes which have been produced by a substitution reaction from nanotube templates. The morphology and crystal structure of the samples have been characterized by transmission electron microscopy and electron energy-loss spectroscopy. Clean boron doped SWCNT with an average boron content of 15 at% have been produced. The B1s and C1s core level spectra reveal that boron is in an sp(2) configuration and that the effective charge transfer is about 0.5 holes per boron to the C-derived states. The boron substitution also leads to new features in the optical absorption spectra which can be attributed to the appearance of an acceptor band about 0.1 eV above the top of the valence band of the SWCNT. These changes in the electronic structure and in the optical properties upon boron substitution are in good agreement with state of the art ab initio calculations. [less ▲]

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