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Title: Sulfur-Immobilized, Activated Porous Carbon Nanotube Composite Based Cathodes for Lithium-Sulfur Batteries

Authors:
 [1];  [2];  [2];  [1]
  1. Materials Science and Engineering Program and Texas Materials Institute, The University of Texas at Austin, Austin TX 78712 USA
  2. School of Chemical and Biological Engineering, College of Engineering, Seoul National University, 599 Gwanangno Gwanakgu Seoul 151-742 South Korea
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1400812
Grant/Contract Number:
SC0005397
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Small
Additional Journal Information:
Journal Volume: 13; Journal Issue: 12; Related Information: CHORUS Timestamp: 2017-10-20 15:29:20; Journal ID: ISSN 1613-6810
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Lee, Jun Seop, Jun, Jaemoon, Jang, Jyongsik, and Manthiram, Arumugam. Sulfur-Immobilized, Activated Porous Carbon Nanotube Composite Based Cathodes for Lithium-Sulfur Batteries. Germany: N. p., 2017. Web. doi:10.1002/smll.201602984.
Lee, Jun Seop, Jun, Jaemoon, Jang, Jyongsik, & Manthiram, Arumugam. Sulfur-Immobilized, Activated Porous Carbon Nanotube Composite Based Cathodes for Lithium-Sulfur Batteries. Germany. doi:10.1002/smll.201602984.
Lee, Jun Seop, Jun, Jaemoon, Jang, Jyongsik, and Manthiram, Arumugam. Wed . "Sulfur-Immobilized, Activated Porous Carbon Nanotube Composite Based Cathodes for Lithium-Sulfur Batteries". Germany. doi:10.1002/smll.201602984.
@article{osti_1400812,
title = {Sulfur-Immobilized, Activated Porous Carbon Nanotube Composite Based Cathodes for Lithium-Sulfur Batteries},
author = {Lee, Jun Seop and Jun, Jaemoon and Jang, Jyongsik and Manthiram, Arumugam},
abstractNote = {},
doi = {10.1002/smll.201602984},
journal = {Small},
number = 12,
volume = 13,
place = {Germany},
year = {Wed Jan 11 00:00:00 EST 2017},
month = {Wed Jan 11 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1002/smll.201602984

Citation Metrics:
Cited by: 5works
Citation information provided by
Web of Science

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  • We report lithium-sulfur batteries are promising non-conventional sources of energy due to their high theoretical capacity and energy density. However, the successful implementation of this technology has been hindered due to the low cycling life of the battery, caused by long chain polysulfide shuttling between electrodes during charge/discharge, among other issues. Quantum chemical calculations are used to study the reactivity of sulfur in the porous cathode of lithium-sulfur batteries, and the retention capabilities of porous carbon materials to avoid long chain polysulfide diffusion. Ab initio molecular dynamics (AIMD) simulations are initially employed to evaluate sulfur reduction mechanisms and kinetics, andmore » to identify main reduction products. A porous cathode architecture is modeled through parallel graphene layers with elemental sulfur rings in the interlayer, and filled with 1,3-dioxolane (DOL) organic solvent and lithium ions. AIMD simulations showed fast reduction of elemental sulfur and formation of short chain polysulfide. Furthermore, the effect of dangling carbon bonds of graphene on the reactivity of the cathode was confirmed. Adsorption calculations through density functional theory (DFT) proved the capacity of small pores to retain long polysulfide chains. An analysis of the effect of the specific current on the chemical behavior of sulfur reveals an influence of current on the amount of sulfur utilization and practical specific capacity of the battery. In conclusion, this work illustrates the physical-chemical behavior of the sulfur/polysulfide in the porous cathode system at atomistic level.« less
  • Highlights: • The sulfur/activated carbon composite is fabricated using commercial activated carbons. • The sulfur/activated carbon composite with coal shows the best performance. • The Li/S battery has capacities of 1240 mAh g{sup −1} at 1 C and 567 mAh g{sup −1} at 10 C. - Abstract: We prepared sulfur/active carbon composites via a simple solution-based process using the following commercial activated carbon-based materials: coal, coconut shells, and sawdust. Although elemental sulfur was not detected in any of the sulfur/activated carbon composites based on Thermogravimetric analysis, X-ray diffraction, and Raman spectroscopy, Energy-dispersive X-ray spectroscopy results confirmed its presence in themore » activated carbon. These results indicate that sulfur was successfully impregnated in the activated carbon and that all of the activated carbons acted as sulfur reservoirs. The sulfur/activated carbon composite cathode using coal exhibited the highest discharge capacity and best rate capability. The first discharge capacity at 1 C (1.672 A g{sup −1}) was 1240 mAh g{sup −1}, and a large reversible capacity of 567 mAh g{sup −1} was observed at 10 C (16.72 A g{sup −1}).« less