ArticleScientific reports2013
Ion enrichment on the hydrophobic carbon-based surface in aqueous salt solutions due to cation-π interactions.
Article in Scientific reports, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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Who cites it
31 citing papers in PubMed.
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- Two-Dimensional Graphene-Based Potassium Channels Built at an Oil/Water Interface.Materials (Basel, Switzerland) · 2023Article
- Unexpectedly efficient ion desorption of graphene-based materials.Nature communications · 2022Article
- High-Efficiency Ion Enrichment inside Ultra-Short Carbon Nanotubes.Nanomaterials (Basel, Switzerland) · 2022Article
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- Control of the Drying Patterns for Complex Colloidal Solutions and Their Applications.Nanomaterials (Basel, Switzerland) · 2022Review
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- Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite.Chemical science · 2021Article
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Authors and funding
7 authors.
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No grant is acknowledged in the PubMed record.
Abstract
By incorporating cation-π interactions to classic all-atoms force fields, we show that there is a clear enrichment of Na(+) on a carbon-based π electron-rich surface in NaCl solutions using molecular dynamics simulations. Interestingly, Cl(-) is also enriched to some extend on the surface due to the electrostatic interaction between Na(+) and Cl(-), although the hydrated Cl(-)-π interaction is weak. The difference of the numbers of Na(+) and Cl(-) accumulated at the interface leads to a significant negatively charged behavior in the solution, especially in nanoscale systems. Moreover, we find that the accumulation of the cations at the interfaces is universal since other cations (Li(+), K(+), Mg(2+), Ca(2+), Fe(2+), Co(2+), Cu(2+), Cd(2+), Cr(2+), and Pb(2+)) have similar adsorption behaviors. For comparison, as in usual force field without the proper consideration of cation-π interactions, the ions near the surfaces have a similar density of ions in the solution.
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