Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite

@article{Finney2021ElectrochemistryIA,
  title={Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite},
  author={Aaron R. Finney and Ian James McPherson and Patrick R. Unwin and Matteo Salvalaglio},
  journal={Chemical Science},
  year={2021},
  volume={12},
  pages={11166 - 11180}
}
Graphite and related sp2 carbons are ubiquitous electrode materials with particular promise for use in e.g., energy storage and desalination devices, but very little is known about the properties of the carbon–electrolyte double layer at technologically relevant concentrations. Here, the (electrified) graphite–NaCl(aq) interface was examined using constant chemical potential molecular dynamics (CμMD) simulations; this approach avoids ion depletion (due to surface adsorption) and maintains a… 

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