journal article·2018-04

Interfacial stability of graphene-based surfaces in water and organic solvents

Ho Shin Kim, Thomas J. Oweida, Yaroslava G. Yingling

Journal of Materials Science· Volume 53· Issue 8
Publisher page

Abstract

The mass production of graphene and graphene oxide (GO) is essential for its use in commercial products. To improve its processing in the solution, dispersion behavior of graphene-based materials and their colloidal stability must be further understood. This study used all-atom molecular dynamics simulations to understand how electrostatics, van der Waals interactions, and hydrogen bonding affect the exfoliation and stability of three-layered graphene as a function of oxidation and solvent. Water, methanol, and ethanol were chosen as solvents due to their various dispersion behaviors. Our study indicated that (1) both surface oxidation level and solvent type can heavily influence the stability and (2) a decrease in interlayer vdW interactions, an increase in GO–solvent electrostatic interactions, and an increase in GO–solvent hydrogen bonding are important factors that can facilitate the dissolution of GO.
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Research context

OpenAlex topics: Graphene research and applications · Nanopore and Nanochannel Transport Studies · Graphene and Nanomaterials Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

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