Coarse-grained simulations of an ionic liquid-based capacitor: II. Asymmetry in ion shape and charge localization

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10218525" target="_blank" >RIV/00216208:11310/14:10218525 - isvavai.cz</a>

Výsledek na webu

<a href="http://iopscience.iop.org/0953-8984/26/28/284114/pdf/0953-8984_26_28_284114.pdf" target="_blank" >http://iopscience.iop.org/0953-8984/26/28/284114/pdf/0953-8984_26_28_284114.pdf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/0953-8984/26/28/284114" target="_blank" >10.1088/0953-8984/26/28/284114</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Coarse-grained simulations of an ionic liquid-based capacitor: II. Asymmetry in ion shape and charge localization

Popis výsledku v původním jazyce

In this work, which is a continuation of part I, we introduce a primitive model for an ionic liquid (IL) that can account for the planar shape of cations typical for ILs like imidazolium. The model consists of a spherical anion and a triangular cation consisting of three spheres, where one or all three vertices of the triangle can carry electric charge. We use molecular dynamics simulations to study the differential capacitance C-d of an ionic liquid confined between two planar electrodes. Our goal is to elucidate the complex dependence of C-d on the electrode potential U in terms of simple entities such as the shape and charge distribution of the ions. For this purpose, we compare the results from the current model to the results based on the models with spherical cations that possess asymmetry in ion valence and shape that were analyzed in detail in part I of this work. We show that the various possible stackings of the triangles near the cathode lead to noticeable new features in C-

Název v anglickém jazyce

Coarse-grained simulations of an ionic liquid-based capacitor: II. Asymmetry in ion shape and charge localization

Popis výsledku anglicky

In this work, which is a continuation of part I, we introduce a primitive model for an ionic liquid (IL) that can account for the planar shape of cations typical for ILs like imidazolium. The model consists of a spherical anion and a triangular cation consisting of three spheres, where one or all three vertices of the triangle can carry electric charge. We use molecular dynamics simulations to study the differential capacitance C-d of an ionic liquid confined between two planar electrodes. Our goal is to elucidate the complex dependence of C-d on the electrode potential U in terms of simple entities such as the shape and charge distribution of the ions. For this purpose, we compare the results from the current model to the results based on the models with spherical cations that possess asymmetry in ion valence and shape that were analyzed in detail in part I of this work. We show that the various possible stackings of the triangles near the cathode lead to noticeable new features in C-

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

<a href="/cs/project/LK21302" target="_blank" >LK21302: Interakce a dynamika v polymerních nanostrukturách</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physics Condensed Matter

ISSN

0953-8984

e-ISSN

—

Svazek periodika

26

Číslo periodika v rámci svazku

28

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

—

Kód UT WoS článku

000338830300015

EID výsledku v databázi Scopus

—