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

Result code in 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>
Result on the web
<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>

Result language
angličtina
Original language name
Coarse-grained simulations of an ionic liquid-based capacitor: II. Asymmetry in ion shape and charge localization
Original language description
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-
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/LK21302" target="_blank" >LK21302: Interactions and dynamics in polymer nanostructures</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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