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Title: Impurity effects on ionic-liquid-based supercapacitors

Abstract

Small amounts of an impurity may affect the key properties of an ionic liquid and such effects can be dramatically amplified when the electrolyte is under confinement. Here the classical density functional theory is employed to investigate the impurity effects on the microscopic structure and the performance of ionic-liquid-based electrical double-layer capacitors, also known as supercapacitors. Using a primitive model for ionic species, we study the effects of an impurity on the double layer structure and the integral capacitance of a room temperature ionic liquid in model electrode pores and find that an impurity strongly binding to the surface of a porous electrode can significantly alter the electric double layer structure and dampen the oscillatory dependence of the capacitance with the pore size of the electrode. Meanwhile, a strong affinity of the impurity with the ionic species affects the dependence of the integral capacitance on the pore size. Up to 30% increase in the integral capacitance can be achieved even at a very low impurity bulk concentration. As a result, by comparing with an ionic liquid mixture containing modified ionic species, we find that the cooperative effect of the bounded impurities is mainly responsible for the significant enhancement of themore » supercapacitor performance.« less

Authors:
 [1];  [2];  [3];  [1]
  1. Univ. of California, Riverside, CA (United States)
  2. Univ. of California, Riverside, CA (United States); East China Univ. of Science and Technology, Shanghai (People's Republic of China)
  3. Brigham Young Univ., Provo, UT (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1399241
Alternate Identifier(s):
OSTI ID: 1388372
Grant/Contract Number:  
AC05-00OR22725; ERKCC61
Resource Type:
Accepted Manuscript
Journal Name:
Molecular Physics
Additional Journal Information:
Journal Volume: 115; Journal Issue: 4; Journal ID: ISSN 0026-8976
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 25 ENERGY STORAGE; electrical double layer; energy storage; classical density functional theory; catalysis (heterogeneous), solar (fuels), energy storage (including batteries and capacitors), hydrogen and fuel cells, electrodes - solar, mechanical behavior, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Liu, Kun, Lian, Cheng, Henderson, Douglas, and Wu, Jianzhong. Impurity effects on ionic-liquid-based supercapacitors. United States: N. p., 2016. Web. doi:10.1080/00268976.2016.1271154.
Liu, Kun, Lian, Cheng, Henderson, Douglas, & Wu, Jianzhong. Impurity effects on ionic-liquid-based supercapacitors. United States. doi:10.1080/00268976.2016.1271154.
Liu, Kun, Lian, Cheng, Henderson, Douglas, and Wu, Jianzhong. Tue . "Impurity effects on ionic-liquid-based supercapacitors". United States. doi:10.1080/00268976.2016.1271154. https://www.osti.gov/servlets/purl/1399241.
@article{osti_1399241,
title = {Impurity effects on ionic-liquid-based supercapacitors},
author = {Liu, Kun and Lian, Cheng and Henderson, Douglas and Wu, Jianzhong},
abstractNote = {Small amounts of an impurity may affect the key properties of an ionic liquid and such effects can be dramatically amplified when the electrolyte is under confinement. Here the classical density functional theory is employed to investigate the impurity effects on the microscopic structure and the performance of ionic-liquid-based electrical double-layer capacitors, also known as supercapacitors. Using a primitive model for ionic species, we study the effects of an impurity on the double layer structure and the integral capacitance of a room temperature ionic liquid in model electrode pores and find that an impurity strongly binding to the surface of a porous electrode can significantly alter the electric double layer structure and dampen the oscillatory dependence of the capacitance with the pore size of the electrode. Meanwhile, a strong affinity of the impurity with the ionic species affects the dependence of the integral capacitance on the pore size. Up to 30% increase in the integral capacitance can be achieved even at a very low impurity bulk concentration. As a result, by comparing with an ionic liquid mixture containing modified ionic species, we find that the cooperative effect of the bounded impurities is mainly responsible for the significant enhancement of the supercapacitor performance.},
doi = {10.1080/00268976.2016.1271154},
journal = {Molecular Physics},
number = 4,
volume = 115,
place = {United States},
year = {2016},
month = {12}
}

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Cited by: 5 works
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Figures / Tables:

Figure 1. Figure 1.: The restricted primitive model of an ionic liquid (charged spheres) and an impurity (neutral spheres) inside a slit pore. The impurity molecules may accumulate inside the pore due to strong surface affinity.

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    Works referencing / citing this record:

    Impurity effects on ionic-liquid-based supercapacitors [Supplemental Data]
    dataset, December 2016

    • Liu, Kun; Lian, Cheng; Henderson, Douglas
    • figshare-Supplementary information for journal article at DOI: 10.1080/00268976.2016.1271154, 1 PDF file (1.13 MB)
    • DOI: 10.6084/m9.figshare.4497272

      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.