Fig. 5
From: Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics
Free energy landscape of \({\text {[Mo]}_{\text{aq}}}\) adsorption at the ferrihydrite-water interface. A Electron density profile of \({\text {[Mo]}_{\text{aq}}}\) from the surface of Fh. The surface is defined by the uppermost layer of Fh depicted with the blue region at zero. B Free energy of adsorption of \({\text {[Mo]}_{\text{aq}}}\) as a function of distance from the surface of Fh. Green and red-shaded areas show the regions where inner- and outer-sphere adsorbed complexes exist. The arrows denote the exchange between the two complexes