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Title: Neutron vibrational spectroscopic studies of novel tire-derived carbon materials

Sulfonated tire-derived carbons have been demonstrated to be high value-added carbon products of tire recycling in several energy storage system applications including lithium, sodium, potassium ion batteries and supercapacitors. In this paper, we compared different temperature pyrolyzed sulfonated tire-derived carbons with commercial graphite and unmodified/non-functionalized tire-derived carbon by studying the surface chemistry and properties, vibrational spectroscopy of the molecular structure, chemical bonding such as C–H bonding, and intermolecular interactions of the carbon materials. The nitrogen adsorption–desorption studies revealed the tailored micro and meso pore size distribution of the carbon during the sulfonation process. XPS and neutron vibrational spectra showed that the sulfonation of the initial raw tire powders could remove the aliphatic hydrogen containing groups ([double bond splayed left]CH 2 and –CH 3 groups) and reduce the number of heteroatoms that connect to carbon. The absence of these functional groups could effectively improve the first cycle efficiency of the material in rechargeable batteries. Meanwhile, the introduced –SO 3H functional group helped in producing terminal H at the edge of the sp 2 bonded graphite-like layers. Finally, this study reveals the influence of the sulfonation process on the recovered hard carbon from used tires and provides a pathway to develop andmore » improve advanced energy storage materials.« less
Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [4] ;  [5] ; ORCiD logo [6] ;  [7] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). The Bredesen Center for Interdisciplinary Research and Graduate Education
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  4. RJ Lee Group, Inc., Monroeville, PA (United States)
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry
  7. Univ. of Tennessee, Knoxville, TN (United States). The Bredesen Center for Interdisciplinary Research and Graduate Education; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 19; Journal Issue: 33; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Univ. of Tennessee, Knoxville, TN (United States); RJ Lee Group, Inc., Monroeville, PA (United States)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE
OSTI Identifier:
1376440

Li, Yunchao, Cheng, Yongqiang, Daemen, Luke L., Veith, Gabriel M., Levine, Alan M., Lee, Richard J., Mahurin, Shannon M., Dai, Sheng, Naskar, Amit K., and Paranthaman, Mariappan Parans. Neutron vibrational spectroscopic studies of novel tire-derived carbon materials. United States: N. p., Web. doi:10.1039/C7CP03750C.
Li, Yunchao, Cheng, Yongqiang, Daemen, Luke L., Veith, Gabriel M., Levine, Alan M., Lee, Richard J., Mahurin, Shannon M., Dai, Sheng, Naskar, Amit K., & Paranthaman, Mariappan Parans. Neutron vibrational spectroscopic studies of novel tire-derived carbon materials. United States. doi:10.1039/C7CP03750C.
Li, Yunchao, Cheng, Yongqiang, Daemen, Luke L., Veith, Gabriel M., Levine, Alan M., Lee, Richard J., Mahurin, Shannon M., Dai, Sheng, Naskar, Amit K., and Paranthaman, Mariappan Parans. 2017. "Neutron vibrational spectroscopic studies of novel tire-derived carbon materials". United States. doi:10.1039/C7CP03750C. https://www.osti.gov/servlets/purl/1376440.
@article{osti_1376440,
title = {Neutron vibrational spectroscopic studies of novel tire-derived carbon materials},
author = {Li, Yunchao and Cheng, Yongqiang and Daemen, Luke L. and Veith, Gabriel M. and Levine, Alan M. and Lee, Richard J. and Mahurin, Shannon M. and Dai, Sheng and Naskar, Amit K. and Paranthaman, Mariappan Parans},
abstractNote = {Sulfonated tire-derived carbons have been demonstrated to be high value-added carbon products of tire recycling in several energy storage system applications including lithium, sodium, potassium ion batteries and supercapacitors. In this paper, we compared different temperature pyrolyzed sulfonated tire-derived carbons with commercial graphite and unmodified/non-functionalized tire-derived carbon by studying the surface chemistry and properties, vibrational spectroscopy of the molecular structure, chemical bonding such as C–H bonding, and intermolecular interactions of the carbon materials. The nitrogen adsorption–desorption studies revealed the tailored micro and meso pore size distribution of the carbon during the sulfonation process. XPS and neutron vibrational spectra showed that the sulfonation of the initial raw tire powders could remove the aliphatic hydrogen containing groups ([double bond splayed left]CH2 and –CH3 groups) and reduce the number of heteroatoms that connect to carbon. The absence of these functional groups could effectively improve the first cycle efficiency of the material in rechargeable batteries. Meanwhile, the introduced –SO3H functional group helped in producing terminal H at the edge of the sp2 bonded graphite-like layers. Finally, this study reveals the influence of the sulfonation process on the recovered hard carbon from used tires and provides a pathway to develop and improve advanced energy storage materials.},
doi = {10.1039/C7CP03750C},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 33,
volume = 19,
place = {United States},
year = {2017},
month = {8}
}

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