Fig. 4
From: Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics
Effect of \({\text {[Mo]}_{\text{aq}}}\) on the HB network at the interface of Fh-water: Average number of hydrogen bonds as a function of distance from the surface, A for Fh for Mo-0, and Mo-8. B for surface oxygen \(\text {O}_f\) donors and water oxygen \(\text {O}_w\) acceptors. Inset) shows surface, water, and \({{\text{MoO}}_{4}}^{2-}\) can act as HB donors and acceptors. For the latter, the simulations show the formation of protonated \({{\text{MoO}}_{4{\text{aq}}}}^{2-}\) species that can act as HB donors (not shown in this image)