Double layer in ionic liquids: Temperature effect and bilayer model

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

Double layer in ionic liquids : Temperature effect and bilayer model. / Ers, Heigo; Voroshylova, Iuliia; Pikma, Piret; Ivanistsev, Vladislav B.

In: Journal of Molecular Liquids, Vol. 363, 119747, 01.10.2022.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Ers, H, Voroshylova, I, Pikma, P & Ivanistsev, VB 2022, 'Double layer in ionic liquids: Temperature effect and bilayer model', Journal of Molecular Liquids, vol. 363, 119747. https://doi.org/10.1016/j.molliq.2022.119747

APA

Ers, H., Voroshylova, I., Pikma, P., & Ivanistsev, V. B. (2022). Double layer in ionic liquids: Temperature effect and bilayer model. Journal of Molecular Liquids, 363, [119747]. https://doi.org/10.1016/j.molliq.2022.119747

Vancouver

Ers H, Voroshylova I, Pikma P, Ivanistsev VB. Double layer in ionic liquids: Temperature effect and bilayer model. Journal of Molecular Liquids. 2022 Oct 1;363. 119747. https://doi.org/10.1016/j.molliq.2022.119747

Author

Ers, Heigo ; Voroshylova, Iuliia ; Pikma, Piret ; Ivanistsev, Vladislav B. / Double layer in ionic liquids : Temperature effect and bilayer model. In: Journal of Molecular Liquids. 2022 ; Vol. 363.

Bibtex

@article{4dcc99db95b14903853fc63d2b25fc07,
title = "Double layer in ionic liquids: Temperature effect and bilayer model",
abstract = "This work describes the effect of potential and temperature on the grapheneionic liquid (EMImBF4) interfacial structure and properties with the focus on a novel phenomenon of ionic saturation. We apply classical molecular dynamics simulations to reproduce well-known phenomena of overscreening, mono -layer formation, and temperature-induced smearing of the interfacial structure. Using quantum density functional theory calculations, we show how quantum capacitance dampens the influence of temperature and improves the agreement with the experimental data. Using a bilayer model, we study characteristic features of capacitance-potential dependence and relate them to the changes in interfacial structure. These insights are of fundamental and practical importance for the application of similar interfaces in electrochemical energy storage and transformation devices such as capacitors and actuators. (C) 2022 The Authors. Published by Elsevier B.V.",
keywords = "Graphene, Differential capacitance, Temperature dependence, Interfacial structure, Molecular dynamics, Electrical double layer, tetrafluoroborate, 1-ethyl-3-methylimidazolium, ELECTRICAL DOUBLE-LAYER, DIFFERENTIAL CAPACITANCE, FORCE-FIELD, ELECTRODE, INTERFACE, SURFACE, SUPERCAPACITORS, 1ST-PRINCIPLES, SPECTROSCOPY, SIMULATIONS",
author = "Heigo Ers and Iuliia Voroshylova and Piret Pikma and Ivanistsev, {Vladislav B.}",
year = "2022",
month = oct,
day = "1",
doi = "10.1016/j.molliq.2022.119747",
language = "English",
volume = "363",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Double layer in ionic liquids

T2 - Temperature effect and bilayer model

AU - Ers, Heigo

AU - Voroshylova, Iuliia

AU - Pikma, Piret

AU - Ivanistsev, Vladislav B.

PY - 2022/10/1

Y1 - 2022/10/1

N2 - This work describes the effect of potential and temperature on the grapheneionic liquid (EMImBF4) interfacial structure and properties with the focus on a novel phenomenon of ionic saturation. We apply classical molecular dynamics simulations to reproduce well-known phenomena of overscreening, mono -layer formation, and temperature-induced smearing of the interfacial structure. Using quantum density functional theory calculations, we show how quantum capacitance dampens the influence of temperature and improves the agreement with the experimental data. Using a bilayer model, we study characteristic features of capacitance-potential dependence and relate them to the changes in interfacial structure. These insights are of fundamental and practical importance for the application of similar interfaces in electrochemical energy storage and transformation devices such as capacitors and actuators. (C) 2022 The Authors. Published by Elsevier B.V.

AB - This work describes the effect of potential and temperature on the grapheneionic liquid (EMImBF4) interfacial structure and properties with the focus on a novel phenomenon of ionic saturation. We apply classical molecular dynamics simulations to reproduce well-known phenomena of overscreening, mono -layer formation, and temperature-induced smearing of the interfacial structure. Using quantum density functional theory calculations, we show how quantum capacitance dampens the influence of temperature and improves the agreement with the experimental data. Using a bilayer model, we study characteristic features of capacitance-potential dependence and relate them to the changes in interfacial structure. These insights are of fundamental and practical importance for the application of similar interfaces in electrochemical energy storage and transformation devices such as capacitors and actuators. (C) 2022 The Authors. Published by Elsevier B.V.

KW - Graphene

KW - Differential capacitance

KW - Temperature dependence

KW - Interfacial structure

KW - Molecular dynamics

KW - Electrical double layer

KW - tetrafluoroborate

KW - 1-ethyl-3-methylimidazolium

KW - ELECTRICAL DOUBLE-LAYER

KW - DIFFERENTIAL CAPACITANCE

KW - FORCE-FIELD

KW - ELECTRODE

KW - INTERFACE

KW - SURFACE

KW - SUPERCAPACITORS

KW - 1ST-PRINCIPLES

KW - SPECTROSCOPY

KW - SIMULATIONS

U2 - 10.1016/j.molliq.2022.119747

DO - 10.1016/j.molliq.2022.119747

M3 - Journal article

VL - 363

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

M1 - 119747

ER -

ID: 322273462