ArticleProceedings of the National Academy of Sciences of the United States of America2021
Image-charge effects on ion adsorption near aqueous interfaces.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Tantalum-Doped Co-Cr Alloys: Multiscale Effects on Mechanics, Surface Potential, and Biological Responses.ACS omega · 2026Article
- Entropic-dielectric interplay governs ion adsorption in inner electric double layers.Science advances · 2026Article
- Computational Electrosynthesis: A Perspective on Mechanistic Questions, Methodological Approaches, and Elucidating the Role of the Electrical Double Layer.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Review
- ECE vs DISP Mechanisms in Anodic Electrolysis of Benzyl Alcohols: Computational Prediction of Microscopic Rate Constants.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Twisting, Hydrogen Bonding, Exciplex Formation, and Charge Transfer. What Makes a Bright Fluorophore Not So Bright?The Journal of organic chemistry · 2025Article
- Advanced characterization of confined electrochemical interfaces in electrochemical capacitors.Nature nanotechnology · 2025Review
- GCMe: Efficient Implementation of the Gaussian Core Model with Smeared Electrostatic Interactions for Molecular Dynamics Simulations of Soft Matter Systems.Journal of chemical theory and computation · 2024Article
- Excitation generated preferential binding sites for ethane on porous carbon-copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light.Chemical science · 2024Article
- Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Multiscale Modeling of Aqueous Electric Double Layers.Chemical reviews · 2024Review
- Phase transitions of ionic fluids in nanoporous electrodes.The European physical journal. E, Soft matter · 2023Article
- PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation.Journal of chemical theory and computation · 2023Article
- Fluids and Electrolytes under Confinement in Single-Digit Nanopores.Chemical reviews · 2023Review
- Measuring anion binding at biomembrane interfaces.Nature communications · 2022Article
- Microscopic Simulations of Electrochemical Double-Layer Capacitors.Chemical reviews · 2022Review
- Influence of effective polarization on ion and water interactions within a biomimetic nanopore.Biophysical journal · 2022Article
- Microscopic origin of the effect of substrate metallicity on interfacial free energies.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Electrostatic interactions near surfaces and interfaces are ubiquitous in many fields of science. Continuum electrostatics predicts that ions will be attracted to conducting electrodes but repelled by surfaces with lower dielectric constant than the solvent. However, several recent studies found that certain "chaotropic" ions have similar adsorption behavior at air/water and graphene/water interfaces. Here we systematically study the effect of polarization of the surface, the solvent, and solutes on the adsorption of ions onto the electrode surfaces using molecular dynamics simulation. An efficient method is developed to treat an electrolyte system between two parallel conducting surfaces by exploiting the mirror-expanded symmetry of the exact image-charge solution. With neutral surfaces, the image interactions induced by the solvent dipoles and ions largely cancel each other, resulting in no significant net differences in the ion adsorption profile regardless of the surface polarity. Under an external electric field, the adsorption of ions is strongly affected by the surface polarization, such that the charge separation across the electrolyte and the capacitance of the cell is greatly enhanced with a conducting surface over a low-dielectric-constant surface. While the extent of ion adsorption is highly dependent on the electrolyte model (the polarizability of solvent and solutes, as well as the van der Waals radii), we find the effect of surface polarization on ion adsorption is consistent throughout different electrolyte models.
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