dc.contributor.author
Girotto, Matheus
dc.contributor.author
Malossi, Rodrigo M.
dc.contributor.author
dos Santos, Alexandre P.
dc.contributor.author
Levin, Yan
dc.date.accessioned
2019-03-28T12:47:16Z
dc.date.available
2019-03-28T12:47:16Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/24218
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-1990
dc.description.abstract
We study, using Monte Carlo simulations, the density profiles and differential capacitance of ionic liquids confined by metal electrodes. To compute the electrostatic energy, we use the recently developed approach based on periodic Green’s functions. The method also allows us to easily calculate the induced charge on the electrodes permitting an efficient implementation of simulations in a constant electrostatic potential ensemble. To speed up the simulations further, we model the ionic liquid as a lattice Coulomb gas and precalculate the interaction potential between the ions. We show that the lattice model captures the transition between camel-shaped and bell-shaped capacitance curves—the latter characteristic of ionic liquids (strong coupling limit) and the former of electrolytes (weak coupling). We observe the appearance of a second peak in the differential capacitance at ≈0.5 V for 2:1 ionic liquids, as the packing fraction is increased. Finally, we show that ionic size asymmetry decreases substantially the capacitance maximum, when all other parameters are kept fixed.
en
dc.rights.uri
http://www.fu-berlin.de/sites/refubium/rechtliches/Nutzungsbedingungen
dc.subject
Lattice models
en
dc.subject
Electrolytes
en
dc.subject
Electric measurements
en
dc.subject
Elementary particle interactions
en
dc.subject
Ionic liquids
en
dc.subject
Ions and properties
en
dc.subject
Phase transitions
en
dc.subject
Monte Carlo methods
en
dc.subject
Electrostatics
en
dc.subject
Statistical thermodynamics
en
dc.subject.ddc
500 Natural sciences and mathematics::530 Physics::530 Physics
dc.title
Lattice model of ionic liquid confined by metal electrodes
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.doi
10.1063/1.5013337
dcterms.bibliographicCitation.journaltitle
Journal of Chemical Physics
dcterms.bibliographicCitation.url
https://aip.scitation.org/doi/10.1063/1.5013337
refubium.affiliation
Physik
refubium.affiliation.other
Institut für Theoretische Physik
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refubium.funding
Open Access Publikation in Allianzlizenz
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.issn
0021-9606 (Print)
dcterms.isPartOf.issn
1089-7690 (Online)