Document Type

Article

Publication Date

3-30-2023

Abstract

The adsorption of organic aromatic molecules, namely aniline, onto graphene oxide is investigated using molecular simulations. The effect of the oxidation level of the graphene oxide sheet as well as the presence of two different halide salts, sodium chloride and sodium iodide, were examined. The aniline molecule in the more-reduced graphene oxide case, in the absence of added salt, showed a slightly greater affinity for the graphene oxide-water interface as compared to the oxidized form. The presence of the iodide ion increased the affinity of the aniline molecule in the reduced case but had the opposite effect for the more-oxidized form. The effect of oxidation and added salt on the interfacial water layer was also examined.

Publication Source (Journal or Book title)

Journal of Physical Chemistry C

First Page

5920

Last Page

5930

Download

Share

COinS