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Polar liquids at charged interfaces: A dipolar shell theory
File(s)
5.0096439.pdf (6.62 MB)
Published version
Author(s)
de Souza, J Pedro
Kornyshev, Alexei A
Bazant, Martin Z
Type
Journal Article
Abstract
The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that captures the essential features of dielectric screening by polar liquids at charged interfaces, including decaying spatial oscillations in charge and mass, starting from the molecular properties of the solvent. The theory predicts an anisotropic dielectric tensor of interfacial polar liquids previously studied in molecular dynamics simulations. We explore the effect of the interfacial polar liquid properties on the capacitance of the electrode/electrolyte interface and on hydration forces between two plane-parallel polarized surfaces. In the linear response approximation, we obtain simple formulas for the characteristic decay lengths of molecular and ionic profiles at the interface.
Date Issued
2022-06-28
Date Acceptance
2022-05-31
Citation
Journal of Chemical Physics, 2022, 156 (24), pp.1-16
URI
URL
DOI
ISSN
0021-9606
Publisher
American Institute of Physics
Start Page
1
End Page
16
Journal / Book Title
Journal of Chemical Physics
Volume
156
Issue
24
Copyright Statement
© 2022 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
License URL
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000818648700003&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a2bf6146997ec60c407a63945d4e92bb
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
DENSITY-FUNCTIONAL THEORY
NONLOCAL ELECTROSTATIC APPROACH
INTEGRAL-EQUATION
DIELECTRIC FUNCTION
DOUBLE-LAYER
HYDRATION FORCES
THEORY MODEL
FREE-ENERGY
WATER
SOLVENT
Publication Status
Published
Article Number
ARTN 244705
Date Publish Online
2022-06-29