ArticleNano letters2024
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes.
Article in Nano letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Beyond the Continuum Theory: Conductance Scaling and Correlated Imaging in Atom-Scale Artificial Ion Channels.ACS nano · 2026Article
- How reactive is water at the nanoscale and how to control it?Science advances · 2026Article
- Water self-dissociation in slit pores displays non-monotonic behavior as a function of water filling.Chemical science · 2026Article
- Nanoconfined superionic water is a molecular superionic.Science advances · 2026Article
- Matter in ångström-scale two-dimensional confinement.Nature reviews. Chemistry · 2026Review
- Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces.Journal of the American Chemical Society · 2026Article
- Physical Confinement Modulates the Rate-Limiting Transition in the Release of Phosphate from Actin Filaments.bioRxiv : the preprint server for biology · 2026Article
- Quantum-Scale Friction at Solid-Liquid Interface: Simulation, Detection Techniques, Mechanisms, and Emerging Applications.Nano-micro letters · 2026Review
- Unexpected Oversolubility of COJournal of the American Chemical Society · 2025Article
- Cation-self-shielding strategy promises high-voltage all-Prussian-blue-based aqueous K-ion batteries.Nature communications · 2025Article
- Protons Accumulate at the Graphene-Water Interface.ACS nano · 2025Article
- Article
- Modelling ligand exchange in metal complexes with machine learning potentials.Faraday discussions · 2025Article
- Crumbling crystals: on the dissolution mechanism of NaCl in water.Physical chemistry chemical physics : PCCP · 2024Article
- To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.The journal of physical chemistry letters · 2024Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The nature of ion-ion interactions in electrolytes confined to nanoscale pores has important implications for energy storage and separation technologies. However, the physical effects dictating the structure of nanoconfined electrolytes remain debated. Here we employ machine-learning-based molecular dynamics simulations to investigate ion-ion interactions with density functional theory level accuracy in a prototypical confined electrolyte, aqueous NaCl within graphene slit pores. We find that the free energy of ion pairing in highly confined electrolytes deviates substantially from that in bulk solutions, observing a decrease in contact ion pairing but an increase in solvent-separated ion pairing. These changes arise from an interplay of ion solvation effects and graphene's electronic structure. Notably, the behavior observed from our first-principles-level simulations is not reproduced even qualitatively with the classical force fields conventionally used to model these systems. The insight provided in this work opens new avenues for predicting and controlling the structure of nanoconfined electrolytes.
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