Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes

Zubair, Ahmed; Tristant, Damien; Nie, Chunyang; Tsentalovich, Dmitri E.; Headrick, Robert J.; Pasquali, Matteo; Kono, Junichiro; Meunier, Vincent; Flahaut, Emmanuel; Monthioux, Marc; Gerber, Iann C.; Puech, Pascal

doi:10.1103/physrevmaterials.1.064002

Title: Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes

Journal Article · Mon Nov 27 00:00:00 EST 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.1.064002· OSTI ID:1638541

Zubair, Ahmed ^[1]; Tristant, Damien ^[2]; Nie, Chunyang ^[3]; Tsentalovich, Dmitri E. ^[1]; Headrick, Robert J. ^[1]; Pasquali, Matteo ^[1]; Kono, Junichiro ^[1]; Meunier, Vincent ^[4]; Flahaut, Emmanuel ^[5]; Monthioux, Marc ^[5]; Gerber, Iann C. ^[5]; Puech, Pascal ^[5]

Rice Univ., Houston, TX (United States)
Rensselaer Polytechnic Inst., Troy, NY (United States); Université Fédérale de Toulouse-Midi-Pyrénées (France)
Université Fédérale de Toulouse-Midi-Pyrénées (France); Guangdong University of Technology (China)
Rensselaer Polytechnic Inst., Troy, NY (United States)
Université Fédérale de Toulouse-Midi-Pyrénées (France)

The origin of highly efficient iodine doping of carbon nanotubes is not well understood. Relying on first- principles calculations, we found that iodine molecules (I₂) in contact with a carbon nanotube interact to form monoiodide or/and polyiodide from two and three I₂ as a result of removing electrons from the carbon nanotube (p-type doping). Charge per iodine atom for monoiodide ion or iodine atom at end of iodine chain is significantly higher than that for I₂. This atomic analysis extends previous studies showing that polyiodide ions are the dominant dopants. Moreover, we observed isolated I atoms in atomically resolved transmission electron microscopy, which proves the production of monoiodide. Lastly, using Raman spectroscopy, we quantitatively determined the doping level and estimated the number of conducting channels in high electrical conductivity fibers composed of iodine-doped double-wall carbon nanotubes.

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Research Organization:: Rice Univ., Houston, TX (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office

Grant/Contract Number:: EE0007865

OSTI ID:: 1638541

Alternate ID(s):: OSTI ID: 1410397

Journal Information:: Physical Review Materials, Vol. 1, Issue 6; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 25 works

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References (34)

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