Abstract
Graphene oxide (GO) contains numerous functional groups that facilitate the intercalation of polar solvents. The properties and applications of GO are closely related to its interlayer spacing. We report on the changes in the interlayer spacing of GO after the adsorption of water molecules and the polar organic solvents C2H6O2 (EG), C3H7NO (DMF), C5H9NO (NMP). Experiments were conducted to investigate the variations in the functional groups and structure of GO after solvent adsorption, and they play a vital role in modeling and verifying the results of molecular dynamics simulation. The most stable GO structures are obtained through molecular dynamics simulation. The expansion of the interlayer spacing of GO after the adsorption of monolayer solvent molecules corresponds to the minimum three-dimensional size of the solvent molecules. The spatial arrangement of solvent molecules also contributes to the changes in interlayer spacing. Most adsorbed molecules are oriented parallel to the carbon plane of GO. However, as additional molecules are adsorbed into the interlaminations of GO, the adsorbed molecules are oriented perpendicular to the carbon plane of GO, and a large space forms between two GO interlayers. In addition, the role of large molecules in increasing interlayer spacing becomes more crucial than that of water molecules in the adsorption of binary solvent systems by GO.
Highlights
The layered structure and large area of graphene oxide (GO) facilitate the intercalation and adsorption of polar solvent molecules through covalent or noncovalent approaches [1]
The FTIR spectrum was used to characterize the changes in the chemical bonds and functional groups of GO after solvent adsorption
In addition to the functional groups that exist in GO, GO–NMP contains –CH3 and –CH2 groups, GO–DMF contains –CH3 and C–N groups, and GO–Ethylene glycol (EG) contains –CH2 groups
Summary
The layered structure and large area of graphene oxide (GO) facilitate the intercalation and adsorption of polar solvent molecules through covalent or noncovalent approaches [1]. The dispersibility and the electronic, optical, and mechanic properties of GO are affected by its interlaying spacing [2, 3]. These properties, in turn, are responsible for the extensive applications of GO. Research on the effects of some solvent molecules on the interlayer spacing of GO will help guide the further applications of this material. Rezania et al [4] investigated the hydration of single-layered GO and revealed through X-ray diffraction (XRD) and neutron scattering analysis that interlayer spacing of GO expands with relative humidity.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
