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- W4380551465 abstract "Ion adsorption within nanopores is involved in numerous applications. However, a comprehensive understanding of the fundamental relationship between in-pore ion concentration and pore size, particularly in the sub-2 nm range, is scarce. This study investigates the ion-species-dependent concentration in multilayered graphene membranes (MGMs) with tunable nanoslit sizes (0.5-1.6 nm) using nuclear magnetic resonance and computational simulations. For Na+-based electrolytes in MGMs, the concentration of anions in graphene nanoslits increases in correlation with their chaotropic properties. As the nanoslit size decreases, the concentration of chaotropic ion (BF4-) increases, whereas the concentration of kosmotropic ions (Cit3-, PO43-) and other ions (Ac-, F-) decreases or changes slightly. Notably, anions remain more concentrated than counter Na+ ions, leading to electroneutrality breakdown and unipolar anion packing in MGMs. A continuum modeling approach, integrating molecular dynamic simulation with the Poisson-Boltzmann model, elucidates these observations by considering water-mediated ion-graphene non-electrostatic interactions and charge screening from graphene walls." @default.
- W4380551465 created "2023-06-14" @default.
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- W4380551465 date "2023-06-14" @default.
- W4380551465 modified "2023-10-16" @default.
- W4380551465 title "Ion-Specific Nanoconfinement Effect in Multilayered Graphene Membranes: A Combined Nuclear Magnetic Resonance and Computational Study" @default.
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- W4380551465 doi "https://doi.org/10.1021/acs.nanolett.3c00877" @default.
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