Orientational Ordering in Nano-confined Polar Liquids

Pivnic, Karina; de Souza, J. Pedro; Kornyshev, Alexei A.; Urbakh, Michael; Bazant, Martin Z.

doi:10.1021/acs.nanolett.3c00927

Orientational Ordering in Nano-confined Polar Liquids

Journal Article · 07 June 2023 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.3c00927· OSTI ID:2420959

Pivnic, Karina ^[1]; ^[2]; ^[3]; ^[4]; ^[5]

School of Chemistry, The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel; OSTI
Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
Department of Chemistry, Molecular Sciences Research Hub, Imperial College London, W12 0BZ 2AZ London, United Kingdom; Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom
School of Chemistry, The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel
Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States; Department of Mathematics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Not provided.

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019112

OSTI ID:: 2420959

Journal Information:: Nano Letters, Journal Name: Nano Letters Journal Issue: 12 Vol. 23; ISSN 1530-6984

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (56)

Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Depletion versus Adsorption Janeček, Jiří; Netz, Roland R. Langmuir, Vol. 23, Issue 16 https://doi.org/10.1021/la700561q	journal	July 2007
Ionic activity in concentrated electrolytes: Solvent structure effect revisited Levy, Amir; Bazant, Martin; Kornyshev, Alexei Chemical Physics Letters, Vol. 738 https://doi.org/10.1016/j.cplett.2019.136915	journal	January 2020
Classical electrostatics in biology and chemistry Honig, B.; Nicholls, A. Science, Vol. 268, Issue 5214 https://doi.org/10.1126/science.7761829	journal	May 1995
Hydration Friction in Nanoconfinement: From Bulk via Interfacial to Dry Friction Schlaich, Alexander; Kappler, Julian; Netz, Roland R. Nano Letters, Vol. 17, Issue 10 https://doi.org/10.1021/acs.nanolett.7b02000	journal	September 2017
Role of hydration and water structure in biological and colloidal interactions Israelachvili, Jacob; Wennerström, Håkan Nature, Vol. 379, Issue 6562 https://doi.org/10.1038/379219a0	journal	January 1996
Enhanced water permeability and tunable ion selectivity in subnanometer carbon nanotube porins Tunuguntla, Ramya H.; Henley, Robert Y.; Yao, Yun-Chiao Science, Vol. 357, Issue 6353 https://doi.org/10.1126/science.aan2438	journal	August 2017
Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores Ruiz-Barragan, Sergi; Muñoz-Santiburcio, Daniel; Körning, Saskia Physical Chemistry Chemical Physics, Vol. 22, Issue 19 https://doi.org/10.1039/D0CP00916D	journal	January 2020
Frequency and wave-vector dependent dielectric function of water: Collective modes and relaxation spectra Bopp, Philippe A.; Kornyshev, Alexei A.; Sutmann, Godehard The Journal of Chemical Physics, Vol. 109, Issue 5 https://doi.org/10.1063/1.476884	journal	August 1998
Universal Reduction in Dielectric Response of Confined Fluids Motevaselian, Mohammad H.; Aluru, Narayana R. ACS Nano, Vol. 14, Issue 10 https://doi.org/10.1021/acsnano.0c03173	journal	September 2020
Theory of interaction between helical molecules Kornyshev, A. A.; Leikin, S. The Journal of Chemical Physics, Vol. 107, Issue 9 https://doi.org/10.1063/1.475320	journal	September 1997
Nonlocal Dielectric Saturation in Liquid Water Kornyshev, Alexei A.; Sutmann, Godehard Physical Review Letters, Vol. 79, Issue 18 https://doi.org/10.1103/PhysRevLett.79.3435	journal	November 1997
The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations Chiang, Kuo-Yang; Seki, Takakazu; Yu, Chun-Chieh Proceedings of the National Academy of Sciences, Vol. 119, Issue 36 https://doi.org/10.1073/pnas.2204156119	journal	August 2022
Profile of the Static Permittivity Tensor of Water at Interfaces: Consequences for Capacitance, Hydration Interaction and Ion Adsorption Bonthuis, Douwe Jan; Gekle, Stephan; Netz, Roland R. Langmuir, Vol. 28, Issue 20 https://doi.org/10.1021/la2051564	journal	April 2012
Unravelling the solvent response to neutral and charged solutes Fedorov, Maxim V.; Kornyshev, Alexei A. Molecular Physics, Vol. 105, Issue 1 https://doi.org/10.1080/00268970601110316	journal	January 2007
Hydration forces as a result of non-local water polarizability Belaya, M. L.; Feigel'man, M. V.; Levadny, V. G. Chemical Physics Letters, Vol. 126, Issue 3-4 https://doi.org/10.1016/S0009-2614(86)80099-9	journal	May 1986
Theory of Surface Forces in Multivalent Electrolytes Misra, Rahul Prasanna; de Souza, J. Pedro; Blankschtein, Daniel Langmuir, Vol. 35, Issue 35 https://doi.org/10.1021/acs.langmuir.9b01110	journal	July 2019
Water-Mediated Interactions between Hydrophilic and Hydrophobic Surfaces Kanduč, Matej; Schlaich, Alexander; Schneck, Emanuel Langmuir, Vol. 32, Issue 35 https://doi.org/10.1021/acs.langmuir.6b01727	journal	August 2016
Direct numerical solution of the Ornstein–Zernike integral equation and spatial distribution of water around hydrophobic molecules Ikeguchi, Mitsunori; Doi, Junta The Journal of Chemical Physics, Vol. 103, Issue 12 https://doi.org/10.1063/1.470587	journal	September 1995
Non-local dielectric response of a polar solvent and Debye screening in ionic solution Kornyshev, Alexei A. Journal of the Chemical Society, Faraday Transactions 2, Vol. 79, Issue 5 https://doi.org/10.1039/f29837900651	journal	January 1983
Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant Caleman, Carl; van Maaren, Paul J.; Hong, Minyan Journal of Chemical Theory and Computation, Vol. 8, Issue 1 https://doi.org/10.1021/ct200731v	journal	December 2011
The Dramatic Effect of Water Structure on Hydration Forces and the Electrical Double Layer Hedley, Jonathan G.; Berthoumieux, Hélène; Kornyshev, Alexei A. The Journal of Physical Chemistry C, Vol. 127, Issue 18 https://doi.org/10.1021/acs.jpcc.3c00262	journal	April 2023
The shape of the nonlocal dielectric function of polar liquids and the implications for thermodynamic properties of electrolytes: A comparative study Kornyshev, Alexei A.; Sutmann, Godehard The Journal of Chemical Physics, Vol. 104, Issue 4 https://doi.org/10.1063/1.470741	journal	January 1996
Molecular layering of water at surfaces and origin of repulsive hydration forces Israelachvili, Jacob N.; Pashley, Richard M. Nature, Vol. 306, Issue 5940 https://doi.org/10.1038/306249a0	journal	November 1983
Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance Bonthuis, Douwe Jan; Gekle, Stephan; Netz, Roland R. Physical Review Letters, Vol. 107, Issue 16 https://doi.org/10.1103/PhysRevLett.107.166102	journal	October 2011
Role of water structure in the interpretation of colloid stability Johnson, G. A.; Lecchini, S. M. A.; Smith, E. G. Discussions of the Faraday Society, Vol. 42 https://doi.org/10.1039/df9664200120	journal	January 1966
Models of Electron Transfer at Different Electrode Materials Santos, Elizabeth; Schmickler, Wolfgang Chemical Reviews, Vol. 122, Issue 12 https://doi.org/10.1021/acs.chemrev.1c00583	journal	March 2022
Mineral–water interfacial structures revealed by synchrotron X-ray scattering Fenter, Paul; Sturchio, Neil C. Progress in Surface Science, Vol. 77, Issue 5-8 https://doi.org/10.1016/j.progsurf.2004.12.001	journal	January 2004
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons Liu, Zhu; Timmermann, Jakob; Reuter, Karsten The Journal of Physical Chemistry B, Vol. 122, Issue 2 https://doi.org/10.1021/acs.jpcb.7b06709	journal	September 2017
Langevin-Poisson-EQT: A dipolar solvent based quasi-continuum approach for electric double layers Mashayak, S. Y.; Aluru, N. R. The Journal of Chemical Physics, Vol. 146, Issue 4 https://doi.org/10.1063/1.4973934	journal	January 2017
Fluctuation theory of hydration forces: The dramatic effects of inhomogeneous boundary conditions Kornyshev, A. A.; Leikin, S. Physical Review A, Vol. 40, Issue 11 https://doi.org/10.1103/PhysRevA.40.6431	journal	December 1989
Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids Chandler, David; Andersen, Hans C. The Journal of Chemical Physics, Vol. 57, Issue 5 https://doi.org/10.1063/1.1678513	journal	September 1972
Water at Interfaces Björneholm, Olle; Hansen, Martin H.; Hodgson, Andrew Chemical Reviews, Vol. 116, Issue 13 https://doi.org/10.1021/acs.chemrev.6b00045	journal	April 2016
Solvation Free Energy of Polar and Nonpolar Molecules in Water: An Extended Interaction Site Integral Equation Theory in Three Dimensions Du, Qishi; Beglov, Dmitrii; Roux, Benoît The Journal of Physical Chemistry B, Vol. 104, Issue 4 https://doi.org/10.1021/jp992712l	journal	February 2000
Hydration Forces Leikin, S.; Parsegian, V. A.; Rau, D. C. Annual Review of Physical Chemistry, Vol. 44, Issue 1 https://doi.org/10.1146/annurev.pc.44.100193.002101	journal	October 1993
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach Deißenbeck, F.; Freysoldt, C.; Todorova, M. Physical Review Letters, Vol. 126, Issue 13 https://doi.org/10.1103/PhysRevLett.126.136803	journal	April 2021
Extended coarse-grained dipole model for polar liquids: Application to bulk and confined water Motevaselian, M. H.; Mashayak, S. Y.; Aluru, N. R. Physical Review E, Vol. 98, Issue 5 https://doi.org/10.1103/PhysRevE.98.052135	journal	November 2018
Static Nonlocal Dielectric Function of Liquid Water Bopp, Philippe A.; Kornyshev, Alexei A.; Sutmann, Godehard Physical Review Letters, Vol. 76, Issue 8 https://doi.org/10.1103/PhysRevLett.76.1280	journal	February 1996
An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water Beglov, Dmitrii; Roux, Benoît The Journal of Physical Chemistry B, Vol. 101, Issue 39 https://doi.org/10.1021/jp971083h	journal	September 1997
Field theory of structured liquid dielectrics Blossey, Ralf; Podgornik, Rudolf Physical Review Research, Vol. 4, Issue 2 https://doi.org/10.1103/PhysRevResearch.4.023033	journal	April 2022
A Molecular Theory of the Hydration Force in an Electrolyte Solution Trokhymchuk, Andrij; Henderson, Douglas; Wasan, Darsh T. Journal of Colloid and Interface Science, Vol. 210, Issue 2 https://doi.org/10.1006/jcis.1998.5903	journal	February 1999
Integral equation predictions of liquid state structure for waterlike intermolecular potentials Pettitt, B. Montgomery; Rossky, Peter J. The Journal of Chemical Physics, Vol. 77, Issue 3 https://doi.org/10.1063/1.443972	journal	August 1982
Confined Water’s Dielectric Constant Reduction Is Due to the Surrounding Low Dielectric Media and Not to Interfacial Molecular Ordering Olivieri, Jean-François; Hynes, James T.; Laage, Damien The Journal of Physical Chemistry Letters, Vol. 12, Issue 17 https://doi.org/10.1021/acs.jpclett.1c00447	journal	April 2021
Water at charged interfaces Gonella, Grazia; Backus, Ellen H. G.; Nagata, Yuki Nature Reviews Chemistry, Vol. 5, Issue 7 https://doi.org/10.1038/s41570-021-00293-2	journal	June 2021
Polar liquids at charged interfaces: A dipolar shell theory de Souza, J. Pedro; Kornyshev, Alexei A.; Bazant, Martin Z. The Journal of Chemical Physics, Vol. 156, Issue 24 https://doi.org/10.1063/5.0096439	journal	June 2022
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K Mark, Pekka; Nilsson, Lennart The Journal of Physical Chemistry A, Vol. 105, Issue 43 https://doi.org/10.1021/jp003020w	journal	November 2001
Nonlocal electrostatic approach to the problem of a double layer at a metal-electrolyte interface Kornyshev, A. A.; Schmickler, W.; Vorotyntsev, M. A. Physical Review B, Vol. 25, Issue 8 https://doi.org/10.1103/PhysRevB.25.5244	journal	April 1982
Squeezout phenomena and boundary layer formation of a model ionic liquid under confinement and charging Capozza, R.; Vanossi, A.; Benassi, A. The Journal of Chemical Physics, Vol. 142, Issue 6 https://doi.org/10.1063/1.4907747	journal	February 2015
Structural Forces in Mixtures of Ionic Liquids with Organic Solvents Pivnic, Karina; Bresme, Fernando; Kornyshev, Alexei A. Langmuir, Vol. 35, Issue 47 https://doi.org/10.1021/acs.langmuir.9b02121	journal	October 2019
Application of integral equation theories to predict the structure, thermodynamics, and phase behavior of water Lue, Leo; Blankschtein, Daniel The Journal of Chemical Physics, Vol. 102, Issue 13 https://doi.org/10.1063/1.469270	journal	April 1995
Beyond the Continuum: How Molecular Solvent Structure Affects Electrostatics and Hydrodynamics at Solid–Electrolyte Interfaces Bonthuis, Douwe Jan; Netz, Roland R. The Journal of Physical Chemistry B, Vol. 117, Issue 39 https://doi.org/10.1021/jp402482q	journal	September 2013
A computer simulation study of the dielectric properties of a model of methyl cyanide: I. The rigid dipole case Edwards, Duncan M. F.; Madden, Paul A.; McDonald, Ian R. Molecular Physics, Vol. 51, Issue 5 https://doi.org/10.1080/00268978400100731	journal	April 1984
Nonlocal Dielectric Response of Water in Nanoconfinement Monet, G.; Bresme, F.; Kornyshev, A. Physical Review Letters, Vol. 126, Issue 21 https://doi.org/10.1103/PhysRevLett.126.216001	journal	May 2021
Density-Functional Theory for Complex Fluids Wu, Jianzhong; Li, Zhidong Annual Review of Physical Chemistry, Vol. 58, Issue 1 https://doi.org/10.1146/annurev.physchem.58.032806.104650	journal	May 2007
A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations Scalfi, Laura; Dufils, Thomas; Reeves, Kyle G. The Journal of Chemical Physics, Vol. 153, Issue 17 https://doi.org/10.1063/5.0028232	journal	November 2020
Application of an extended RISM equation to dipolar and quadrupolar fluids Hirata, Fumio; Pettitt, B. Montgomery; Rossky, Peter J. The Journal of Chemical Physics, Vol. 77, Issue 1 https://doi.org/10.1063/1.443606	journal	July 1982
Interfacial Electrochemistry Schmickler, Wolfgang; Santos, Elizabeth Springer Berlin, Heidelberg https://doi.org/10.1007/978-3-642-04937-8	book	January 2010

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