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Molecular Properties and Chemical Transformations Near Interfaces.

Musahid AhmedMonika BlumEthan J CrumlinPhillip L GeisslerTeresa Head-GordonDavid T LimmerKranthi K MandadapuRichard J SaykallyKevin R Wilson
Published in: The journal of physical chemistry. B (2021)
The properties of bulk water and aqueous solutions are known to change in the vicinity of an interface and/or in a confined environment, including the thermodynamics of ion selectivity at interfaces, transition states and pathways of chemical reactions, and nucleation events and phase growth. Here we describe joint progress in identifying unifying concepts about how air, liquid, and solid interfaces can alter molecular properties and chemical reactivity compared to bulk water and multicomponent solutions. We also discuss progress made in interfacial chemistry through advancements in new theory, molecular simulation, and experiments.
Keyphrases
  • ionic liquid
  • molecular dynamics simulations