DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Beyond the electrical double layer model: ion-dependent effects in nanoscale solvent organization

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI: https://doi.org/10.1039/D3CP05712G · OSTI ID:2290376
 [1];  [2]; ORCiD logo [3];  [1]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]
  1. Department of Chemistry & Biochemistry, University of Maryland, College Park, MD 20742, USA
  2. Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61820, USA
  3. Department of Chemistry, University of California Irvine, Irvine, CA 92697, USA
  4. Department of Chemistry, University of California Irvine, Irvine, CA 92697, USA, Department of Physics and Astronomy, University of California Irvine, Irvine, CA 92697, USA, Department of Biomedical Engineering, University of California Irvine, Irvine, CA 92697, USA
  5. Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61820, USA, Walker Department of Mechanical Engineering, The University of Texas at Austin, Austin, TX 78712, USA, Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, TX 78712, USA
  6. Department of Chemistry & Biochemistry, University of Maryland, College Park, MD 20742, USA, Institute for Physical Sciences and Technology, University of Maryland, College Park, MD 20742, USA, Maryland Quantum Materials Center, University of Maryland, College Park, MD 20742, USA

Electrochemical measurements, nonlinear spectroscopy, and MD simulations are used to explore how the sizes and identities of ions influence their non-uniform distribution in acetonitrile that is highly organized due to proximity to a polar interface.

Sponsoring Organization:
USDOE
Grant/Contract Number:
NONE; SC0019112
OSTI ID:
2290376
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 8 Vol. 26; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English

References (58)

Hofmeister anion effects on surfactant self-assembly and the formation of mesoporous solids journal March 2002
The electrical‐double layer revisited journal March 2022
Solubilities of six lithium salts in five non-aqueous solvents and in a few of their binary mixtures journal April 2018
A review of electrolyte materials and compositions for electrochemical supercapacitors journal January 2015
A New Imaginary Term in the Second-Order Nonlinear Susceptibility from Charged Interfaces journal June 2021
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal September 1976
Principles of interactions in non-aqueous electrolyte solutions journal April 2013
Ion Current Rectification at Nanopores in Glass Membranes journal March 2008
Structure and dynamics of acetonitrile: Molecular simulation and neutron scattering journal February 2022
Second Harmonic and Sum-Frequency Generation from Aqueous Interfaces Is Modulated by Interference journal April 2016
Persistence of Acetonitrile Bilayers at the Interface of Acetonitrile/Water Mixtures with Silica journal May 2013
Thickness of electrical double layer. Effect of ion size journal June 2001
Effect of Temperature on the Organization of Acetonitrile at the Silica/Liquid Interface journal November 2017
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures journal January 2007
Electrokinetic Phenomena in Organic Solvents journal June 2019
Polymorphic transitions in single crystals: A new molecular dynamics method journal December 1981
Understanding the Electric Double-Layer Structure, Capacitance, and Charging Dynamics journal May 2022
Theory of the Double Layer in Water-in-Salt Electrolytes journal September 2018
Recent trends in electrolytes for supercapacitors journal June 2022
Recent developments of advanced micro-supercapacitors: design, fabrication and applications journal November 2020
Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores journal March 2009
Colloidal Stability in Asymmetric Electrolytes: Modifications of the Schulze–Hardy Rule journal February 2017
The role of resonant coupling in vibrational sum-frequency-generation spectroscopy: Liquid acetonitrile at the silica interface journal April 2023
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations journal November 2017
Review of supercapacitors: Materials and devices journal January 2019
A review on electrolyte additives for lithium-ion batteries journal November 2006
Electrolyte Solvation and Ionic Association III. Acetonitrile-Lithium Salt Mixtures–Transport Properties journal January 2013
Effects of background electrolyte composition and addition of selectors on separation selectivity in nonaqueous capillary electrophoresis journal May 2003
Ti:sapphire, broadband vibrational sum-frequency generation spectrometer with a counter-propagating geometry journal January 2009
Solvent Dipoles at the Electrode-Solution Interface book January 1977
Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective journal May 2019
How clean is the solvent you use to clean your optics? A vibrational sum-frequency-generation study journal May 2017
Effects of Liquid Electrolytes on the Charge–Discharge Performance of Rechargeable Lithium/Sulfur Batteries: Electrochemical and in-Situ X-ray Absorption Spectroscopic Studies journal October 2011
Fundamentals and applications of self-assembled plasmonic nanoparticles at interfaces journal January 2016
A unified formulation of the constant temperature molecular dynamics methods journal July 1984
Engineered voltage-responsive nanopores journal January 2010
A smooth particle mesh Ewald method journal November 1995
Ewald summation for systems with slab geometry journal August 1999
Second-order spectral lineshapes from charged interfaces journal October 2017
Nitriles at Silica Interfaces Resemble Supported Lipid Bilayers journal August 2016
Relative and absolute electrochemical quantities. Components of the potential difference across the electrode/solution interface journal January 1974
Fluids and Electrolytes under Confinement in Single-Digit Nanopores journal March 2023
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers journal September 2015
Nanofiltration and Reverse Osmosis Membranes: Theory and Application in Separation of Electrolytes journal January 2004
Dielectric saturation of liquid propylene carbonate in electrical energy storage applications journal January 2010
Ionic Selectivity of Single Nanochannels journal July 2008
Aprotic Solvent Accumulation Amplifies Ion Current Rectification in Conical Nanopores journal July 2022
Permeability and selectivity analysis for ultrafiltration membranes journal March 2005
Design of electrolyte solutions for Li and Li-ion batteries: a review journal November 2004
A Poisson/Nernst-Planck model for ionic transport through synthetic conical nanopores journal July 2005
Acetonitrile on Silica Surfaces and at Its Liquid−Vapor Interface: Structural Correlations and Collective Dynamics journal May 2010
Transport phenomena in nanofluidics journal July 2008
A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study journal February 1994
Interfacial Organization of Acetonitrile: Simulation and Experiment journal August 2010
Membrane Technology and Applications book July 2012
The Molar Volumes of Ions in Solution, Part 7. Electrostriction and Hydration Numbers of Aqueous Polyatomic Anions at 25 °C journal February 2014
Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids journal March 2009
Rectification of nanopores in aprotic solvents – transport properties of nanopores with surface dipoles journal January 2015