Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations

Damien Tristant; Ahmed Zubair; Pascal Puech; Frédéric Neumayer; Sébastien Moyano; Robert J. Headrick; Dmitri E. Tsentalovich; Colin C. Young; Iann C. Gerber; Matteo Pasquali; Junichiro Kono; Jean Leotin

doi:10.1039/C6NR04647A

Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations†

Damien Tristant,^ab Ahmed Zubair,^c Pascal Puech,*^a Frédéric Neumayer,^a Sébastien Moyano,^a Robert J. Headrick,^def Dmitri E. Tsentalovich,^def Colin C. Young,^def Iann C. Gerber,^b Matteo Pasquali,^def Junichiro Kono^cfg and Jean Leotin^h

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* Corresponding authors

^a CEMES-CNRS, UPR-8011, Université Fédérale de Toulouse-Midi-Pyrénées, 29 rue Jeanne Marvig, BP 94347 Toulouse, Cedex 4, France
E-mail: pascal.puech@cemes.fr
Fax: +33 05 62 25 79 99
Tel: +33 05 67 52 43 57

^b LPCNO, UMR-5215 CNRS, INSA, Université Fédérale de Toulouse-Midi-Pyrénées, Université de Toulouse, 135 Avenue de Rangueil, 31077 Toulouse, France

^c Department of Electrical and Computer Engineering, Rice University, 6100 Main St., Houston, Texas 77005, USA

^d Department of Chemical and Biomolecular Engineering, Rice University, 6100 Main St., Houston, Texas 77005, USA

^e Department of Chemistry, Rice University, 6100 Main St., Houston, Texas 77005, USA

^f Department of Materials Science and NanoEngineering, Rice University, 6100 Main St., Houston, Texas 77005, USA

^g Department of Physics and Astronomy, Rice University, 6100 Main St., Houston, Texas 77005, USA

^h LNCMI-CNRS, UPR 3228, Université Fédérale de Toulouse-Midi-Pyrénées, 143 avenue de Rangueil, 31400 Toulouse, France

Abstract

Highly aligned, packed, and doped carbon nanotube (CNT) fibers with electrical conductivities approaching that of copper have recently become available. These fibers are promising for high-power electrical applications that require light-weight, high current-carrying capacity cables. However, a microscopic understanding of how doping affects the electrical conductance of such CNT fibers in a quantitative manner has been lacking. Here, we performed Raman spectroscopy measurements combined with first-principles calculations to determine the position of the average Fermi energy and to obtain the temperature of chlorosulfonic-acid-doped double-wall CNT fibers under high current. Due to the unique way in which double-wall CNT Raman spectra depend on doping, it is possible to use Raman data to determine the doping level quantitatively. The correspondence between the Fermi level shift and the carbon charge transfer is derived from a tight-binding model and validated by several calculations. For the doped fiber, we were able to associate an average Fermi energy shift of ∼−0.7 eV with a conductance increase by a factor of ∼5. Furthermore, since current induces heating, local temperature determination is possible. Through the Stokes-to-anti-Stokes intensity ratio of the G-band peaks, we estimated a temperature rise at the fiber surface of ∼135 K at a current density of 2.27 × 10⁸ A m⁻² identical to that from the G-band shift, suggesting that thermalization between CNTs is well achieved.

Nanoscale

Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations†

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Enlightening the ultrahigh electrical conductivities of doped double-wall carbon nanotube fibers by Raman spectroscopy and first-principles calculations

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