Abstract
Many vital processes taking place in electrolytes, such as nanoparticle self-assembly, water purification, and the operation of aqueous supercapacitors, rely on the precise many-body interactions between surfaces and ions in water. Here we study the interaction between a hydrated ion and a charge-neutral graphene layer using atomistic molecular dynamics simulations. For small separations, the ion-graphene repulsion is of nonelectrostatic nature, and for intermediate separations, van der Waals attraction becomes important. Contrary to prevailing theory, we show that nonlinear and tensorial dielectric effects become non-negligible close to surfaces, even for monovalent ions. This breakdown of standard isotropic linear dielectric theory has important consequences for the understanding and modeling of charged objects at surfaces.
Originalsprache | englisch |
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Seiten (von - bis) | 6463-6468 |
Seitenumfang | 6 |
Fachzeitschrift | Journal of Physical Chemistry Letters |
Jahrgang | 9 |
Ausgabenummer | 22 |
DOIs | |
Publikationsstatus | Veröffentlicht - 15 Nov. 2018 |
Extern publiziert | Ja |
ASJC Scopus subject areas
- Allgemeine Materialwissenschaften
- Physikalische und Theoretische Chemie