Effects of Nanodomain Formation on the Electronic Structure of Doped Carbon Nanotubes

Carroll, D. L.; Redlich, Ph.; Blase, Xavier; Charlier, Jean‐Christophe; Curran, Seamus A.; Ajayan, Pulickel M.; Roth, S.; Rühle, M.

doi:10.1103/physrevlett.81.2332

Cited by 305 publications

(223 citation statements)

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“…Chemical doping of heteroatoms to the lattice of the carbon frameworks is an effective strategy to modulate their intrinsic physical and chemical properties 4,5 . In particular, among the potential dopants, nitrogen is considered to be one of the more fascinating elements for chemical doping.…”

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Enantioselective synthesis of a chiral nitrogen-doped buckybowl

et al. 2012

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Bowl-shaped aromatic compounds, namely buckybowls constitute a family of curved polycyclic aromatic carbons along with fullerenes and carbon nanotubes. Doping of heteroatoms to the carbon frameworks of such aromatic compounds drastically modulates their physical and chemical properties. In contrast to nitrogen-doped azafullerenes or carbon nanotubes, synthesis of azabuckybowls, nitrogen-doped buckybowls, remains an unsolved challenging task. Here we report the first enantioselective synthesis of a chiral azabuckybowl, triazasumanene. X-ray crystallographic analysis confirmed that the doping of nitrogen induces a more curved and deeper bowl structure than in all-carbon buckybowls. As a result of the deeper bowl structure, the activation energy for the bowl inversion (thermal flipping of the bowl structure) reaches an extraordinarily high value (42.2 kcal per mol). As the bowl inversion corresponds to the racemization process for chiral buckybowls, this high bowl inversion energy leads to very stable chirality of triazasumanene.

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Enantioselective synthesis of a chiral nitrogen-doped buckybowl

et al. 2012

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“…8,18,19 The area below the * resonance gives a measure of the charge transfer and bonding environment. We observe that the B1s * peak is about 13% lower in the B-SWCNT than in the MWBNNT, which shows that there is a different charge distribution within the B-C bonds which results in a higher electron density at the boron site.…”

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“…Band-structure calculations of hypothetical tubule forms of hexagonal BC 3 predicted that these tubes form as likely as carbon and BN nanotubes and have a minimum energy gap of about 0.2 eV. 10 Carroll et al 8 proposed that B substitution of CNT's leads to the formation of BC 3 nanodomains inserted in the 1D nanotube structure, giving rise to an acceptor state 0.4 eV below the Fermi level due to the realignment of this superstructure with the graphitic one. Lammert et al 19 showed that under doping with boron and nitrogen, the microscopic doping inhomogeneity of carbon nanotubes is larger than in normal semiconductors leading to charge fluctuations that can be used to design nanoscale devices (diode behavior).…”

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Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes

et al. 2004

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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 ϳ1 / 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 BC 3 nanotubes instead of a homogeneous random boron substitution.

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“…Selected area diffraction (SAD) confirms that these tubes possess a predominantly zig-zag chirality [12]. Previously, tunneling microscopy and spectroscopy, coupled with electron energy loss spectroscopy (EELS), has been used to demonstrate that the boron is incorporated into the lattice as islands of BC 3 [13]. A visual indication of these islands could be attributed to the presence of strained regions within the tubes (Fig.…”

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Nonlinear Behavior in the Thermopower of Doped Carbon Nanotubes Due to Strong, Localized States

et al. 2003

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The temperature dependent thermoelectric power (TEP) of boron and nitrogen doped multiwalled carbon nanotube mats has been measured showing that such dopants can be used to modify the majority conduction from p-type to n-type. The TEP of boron doped nanotubes is positive, indicating hole-like carriers. In contrast, the nitrogen doped material exhibits negative TEP over the same temperature range, suggesting electron-like conduction. Therefore, the TEP distinct nonlinearites are primarily due to the formation of donor and acceptor states in the B-and N-doped materials. The sharply varying density of states used in our model can be directly correlated to the scanning tunneling spectroscopy studies of these materials.PACS numbers: 65.80+n, 61.46+w, 73.63.Fg, 81.07.De Interest in the electrical transport properties of both single-walled (SWNT) and multi-walled (MWNT) carbon nanotubes stems primarily from anticipated applications of these low-dimensional materials in nanoelectronics [1]. One expects metallic conduits along with heterojunctions, formed from nanomaterials with different carriers (electrons vs. holes), to be necessary. These would play an analogous role to 'bulk' doped Si devices and metal interconnect lines. However, the direct substitutional doping of carbon nanotubes has proven to be quite difficult. Their low-dimensional structure does not provide an energetically favorable environment for most impurity atoms. Fortunately, there are two promising exceptions, boron [2] and nitrogen [3], both of which seem able to reside within the carbon lattice.In this Letter we report on the effect of donor and acceptor states on the thermoelectric power (TEP) of boron doped and nitrogen doped nanotube mats. TEP is an important and sensitive test of the carrier sign of any material. Because the TEP is a zero current transport coefficient, it can probe the intrinsic conduction properties of individual nanotubes while being less influenced by randomly entangled morphologies and imperfections of the measured mats as compared to standard conductivity measurements [4]. For example, intrinsic-metallic properties were well demonstrated with the TEP of conducting polymer films exhibiting randomly entangled fibrillar morphologies. However, in these systems, the electrical conductivity always showed a semiconducting temperature dependence due to interfibrillar junction resistances [5]. Generally, SWNT and MWNT randomly orientated mats show a positive and moderately large thermoelectric power (TEP) over the temperature range of 0 to 300 K, with temperature dependencies that approach zero as T 0 →0 [6]. However, earlier studies have shown that "doping" the SWNT mats by intercalating alkali metals into the nanotube bundles could give rise to significantly different thermoelectric properties [7]. Likewise, more recent work has demonstrated an extreme sensitivity of the thermoelectric properties of SWNT mats to oxygen contamination (or doping) [8]. In fact, this exposure to various atmospheres has become a central issue in und...

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Effects of Nanodomain Formation on the Electronic Structure of Doped Carbon Nanotubes

Cited by 305 publications

References 22 publications

Enantioselective synthesis of a chiral nitrogen-doped buckybowl

Enantioselective synthesis of a chiral nitrogen-doped buckybowl

Formation and electronic properties ofBC3single-wall nanotubes upon boron substitution of carbon nanotubes

Nonlinear Behavior in the Thermopower of Doped Carbon Nanotubes Due to Strong, Localized States

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