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

Abstract

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.

Authors:
 [1];  [2];  [3];  [1];  [1];  [1];  [1];  [4];  [5];  [5];  [5];  [5]
  1. Rice Univ., Houston, TX (United States)
  2. Rensselaer Polytechnic Inst., Troy, NY (United States); Université Fédérale de Toulouse-Midi-Pyrénées (France)
  3. Université Fédérale de Toulouse-Midi-Pyrénées (France); Guangdong University of Technology (China)
  4. Rensselaer Polytechnic Inst., Troy, NY (United States)
  5. Université Fédérale de Toulouse-Midi-Pyrénées (France)
Publication Date:
Research Org.:
Rice Univ., Houston, TX (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office
OSTI Identifier:
1638541
Alternate Identifier(s):
OSTI ID: 1410397
Grant/Contract Number:  
EE0007865
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 1; Journal Issue: 6; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; Chemical bonding; Dopants; Electrical conductivity; Optical phonons; Physisorption; Iodine; Doping; Carbon nanotubes

Citation Formats

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., and Puech, Pascal. Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes. United States: N. p., 2017. Web. https://doi.org/10.1103/physrevmaterials.1.064002.
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. Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes. United States. https://doi.org/10.1103/physrevmaterials.1.064002
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., and Puech, Pascal. Mon . "Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes". United States. https://doi.org/10.1103/physrevmaterials.1.064002. https://www.osti.gov/servlets/purl/1638541.
@article{osti_1638541,
title = {Charged iodide in chains behind the highly efficient iodine doping in carbon nanotubes},
author = {Zubair, Ahmed and Tristant, Damien and Nie, Chunyang and Tsentalovich, Dmitri E. and Headrick, Robert J. and Pasquali, Matteo and Kono, Junichiro and Meunier, Vincent and Flahaut, Emmanuel and Monthioux, Marc and Gerber, Iann C. and Puech, Pascal},
abstractNote = {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.},
doi = {10.1103/physrevmaterials.1.064002},
journal = {Physical Review Materials},
number = 6,
volume = 1,
place = {United States},
year = {2017},
month = {11}
}

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