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The Structure of Ionic Liquids at Electrified Interfaces - A Continuum Theory Based Approach

Schammer, Max and Horstmann, Birger and Latz, Arnulf (2021) The Structure of Ionic Liquids at Electrified Interfaces - A Continuum Theory Based Approach. 240th ECS Meeting, 10.-14. Okt. 2021, USA.

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Abstract

Here, we discuss the role of competing energy scales for the structure of the EDL. For this purpose, we supplement our numerical simulations by an analytic investigation of the integral formulation, using higher order gradients in the ion distribution. Thereby, we identify three energy scales related to short-ranged ion-correlations, accounting for excluded volume of hardcore ions, to the thermal energy, and to the electrostatic energy of Coulombic interactions. The relative magnitudes of these energy scales account for the resulting charge-profile in the EDL. We predict the emergence of three screening-phases, consisting of a saturation-profile (crowding), followed by an exponentially decay towards the bulk, a profile of damped oscillations (overscreening), and a crystalline phase of undamped oscillations, which constitutes ion separation. Our analytic investigation gives precise predictions for the damping ratio and the frequency of the oscillations. We compare the analytic discussion with numerical simulations, and show that the analytic description is highly accurate.

Item URL in elib:https://elib.dlr.de/147594/
Document Type:Conference or Workshop Item (Speech)
Title:The Structure of Ionic Liquids at Electrified Interfaces - A Continuum Theory Based Approach
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Schammer, MaxMax.Schammer (at) dlr.dehttps://orcid.org/0000-0002-9598-8343
Horstmann, Birgerbirger.horstmann (at) dlr.dehttps://orcid.org/0000-0002-1500-0578
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:2021
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Status:Published
Keywords:ionic liquids, electrolytes, double layer, continuum modeling
Event Title:240th ECS Meeting
Event Location:USA
Event Type:international Conference
Event Dates:10.-14. Okt. 2021
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Transport System
DLR - Research area:Transport
DLR - Program:V VS - Verkehrssystem
DLR - Research theme (Project):V - Energie und Verkehr
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Schammer, Max
Deposited On:23 Dec 2021 10:25
Last Modified:23 Dec 2021 10:25

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