Wetting and interfacial properties of water on the defective graphene

Xiongying Li, Li Li, Yong Wang, Hui Li, Xiufang Bian

    Research output: Journal article publicationJournal articleAcademic researchpeer-review

    48 Citations (Scopus)


    The wettability of defective graphene and its relation with the interfacial property of water have not been well tackled. By conducting molecular dynamics simulations on the interactions between water and graphene with some vacancy defects, we show that the contact angle is more sensitive to the Stone-Wales (SW) and single-vacancy (SV) defects than the double-vacancy (DV) defects. Density profiles indicate that the graphene sheet induces the interfacial water to change from a liquid into an ordered three-layer structure, which restricts the self-diffusion of water molecules seriously. Moreover, the effect of defects on the ordered liquid layer has also been discussed. Our results are helpful for controlling the wettability of graphene and developing the applications of graphene in nanodevices.

    Original languageEnglish
    Pages (from-to)14106-14112
    Number of pages7
    JournalJournal of Physical Chemistry C
    Issue number27
    Publication statusPublished - 11 Jul 2013

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • General Energy
    • Physical and Theoretical Chemistry
    • Surfaces, Coatings and Films


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