Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

Figure 1

(a) Adsorption site positions for diazonium structures (P1–P5: flat lying onto the GOx surface; P6 and P7: perpendicular to the diazonium group oriented towards the GOx surface) and (b) the computed adsorption energies (in vacuum and water) of aryldiazonium cations onto the different GOx adsorption sites.