I am trying to construct graphene oxide (GO) models in BIOVIA Materials Studio for Flory–Huggins χ screening.

Could you please guide on the correct approach to generate Low, Medium, and High oxidation GO structures? Specifically, how to quantitatively control the O/C ratio and incorporate a realistic distribution of functional groups (–OH, epoxide, –COOH) on the graphene sheet, while maintaining structural stability for MD simulations?