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Updated: Jan 19, 2026

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Electrically Tunable Electron Transfer and Binding Interaction between Hydrated Ions and Graphene Oxide.

Luohao Chen, Shuyan Liu, Zhijun Xu

    The Journal of Physical Chemistry Letters
    |September 12, 2019
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    Electric fields alter how hydrated ions bind to graphene oxide (GO) by modifying electron transfer and orbital interactions. This research offers insights into electrically modulating GO nanomaterials.

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    Area of Science:

    • Computational materials science
    • Surface chemistry
    • Nanotechnology

    Background:

    • Graphene oxide (GO) is a promising material for various applications.
    • Understanding ion-GO interactions is crucial for optimizing GO-based devices.
    • The influence of external electric fields on these interactions is not fully understood.

    Purpose of the Study:

    • To investigate the binding interactions between hydrated sodium (Na+) and chloride (Cl-) ions and graphene oxide (GO) under external electric fields.
    • To elucidate the mechanisms by which electric fields modify these interactions.
    • To explore the effect of electric fields on the interlayer structure of bilayer GO.

    Main Methods:

    • Density functional theory (DFT) simulations were employed.
    • Calculations focused on hydrated Na+/Cl- and GO systems.
    • The study analyzed binding energies, electron transfer, and orbital interactions under varying electric fields.

    Main Results:

    • External electric fields significantly modify the binding interactions between hydrated ions and GO.
    • Field-dependent binding energy is primarily governed by orbital interactions driven by electron transfer.
    • Electric fields influence electron transfer pathways, creating diverse coupling interactions and enlarging interlayer spacing in bilayer GO.

    Conclusions:

    • Electric fields offer a tunable parameter to control hydrated ion-GO interactions.
    • The findings provide a deeper understanding of ion-GO interfaces under electrical modulation.
    • This work is valuable for the electrical manipulation of graphene oxide nanomaterials.