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Title: Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors

Abstract

We investigate the extent to which the alkyl chain on the cation of an imidazolium-based neat room-temperature ionic liquid influences mobility and electrochemical behavior in nanoporous supercapacitors. Changing the cation chain length from an ethyl (n=2) to a butyl (n=4) to a hexyl (n=6) group affects the electrolyte dynamics and their accumulation densities under dynamic charge-discharge processes. We relied on molecular dynamics (MD) computational simulations and classical density functional theory (cDFT) calculations of our system to reinforce the experimental results obtained from electrochemical measurements and quasi-elastic neutron scattering (QENS). We contrast the different dynamics of ionic liquids in bulk and confined states and demonstrate the effect of the cation dimension on resulting arrangements of positive and negative ions in pores. We correlate these fundamental properties with device performance metrics in an effort to properly tailor high-performance carbon supercapacitor electrodes with non-flammable and electrochemically stable electrolytes.

Authors:
 [1];  [2];  [3];  [4];  [2];  [4];  [3];  [1]
  1. Drexel Univ., Philadelphia, PA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. of California, Riverside, CA (United States)
  4. Vanderbilt Univ., Nashville, TN (United States)
Publication Date:
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)
OSTI Identifier:
1470860
Alternate Identifier(s):
OSTI ID: 1495268
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Electrochimica Acta
Additional Journal Information:
Journal Volume: 283; Journal Issue: C; Journal ID: ISSN 0013-4686
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Dyatkin, Boris, Osti, Naresh C., Gallegos, Alejandro, Zhang, Yu, Mamontov, Eugene, Cummings, Peter T., Wu, Jianzhong, and Gogotsi, Yury. Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors. United States: N. p., 2018. Web. doi:10.1016/j.electacta.2018.06.200.
Dyatkin, Boris, Osti, Naresh C., Gallegos, Alejandro, Zhang, Yu, Mamontov, Eugene, Cummings, Peter T., Wu, Jianzhong, & Gogotsi, Yury. Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors. United States. doi:10.1016/j.electacta.2018.06.200.
Dyatkin, Boris, Osti, Naresh C., Gallegos, Alejandro, Zhang, Yu, Mamontov, Eugene, Cummings, Peter T., Wu, Jianzhong, and Gogotsi, Yury. Thu . "Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors". United States. doi:10.1016/j.electacta.2018.06.200. https://www.osti.gov/servlets/purl/1470860.
@article{osti_1470860,
title = {Electrolyte cation length influences electrosorption and dynamics in porous carbon supercapacitors},
author = {Dyatkin, Boris and Osti, Naresh C. and Gallegos, Alejandro and Zhang, Yu and Mamontov, Eugene and Cummings, Peter T. and Wu, Jianzhong and Gogotsi, Yury},
abstractNote = {We investigate the extent to which the alkyl chain on the cation of an imidazolium-based neat room-temperature ionic liquid influences mobility and electrochemical behavior in nanoporous supercapacitors. Changing the cation chain length from an ethyl (n=2) to a butyl (n=4) to a hexyl (n=6) group affects the electrolyte dynamics and their accumulation densities under dynamic charge-discharge processes. We relied on molecular dynamics (MD) computational simulations and classical density functional theory (cDFT) calculations of our system to reinforce the experimental results obtained from electrochemical measurements and quasi-elastic neutron scattering (QENS). We contrast the different dynamics of ionic liquids in bulk and confined states and demonstrate the effect of the cation dimension on resulting arrangements of positive and negative ions in pores. We correlate these fundamental properties with device performance metrics in an effort to properly tailor high-performance carbon supercapacitor electrodes with non-flammable and electrochemically stable electrolytes.},
doi = {10.1016/j.electacta.2018.06.200},
journal = {Electrochimica Acta},
number = C,
volume = 283,
place = {United States},
year = {2018},
month = {7}
}

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