Fig. 1
From: Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics
Comparative XRD analysis of Fh: structural insights from simulated and synthesized environments with \({\text {[Mo]}_{\text{aq}}}\). XRD pattern for a1 Michel’s crystallographic structure of Fh, a2 MD-relaxed Fh slab, a3 synthesized Fh, b1 Fh slab and water (Mo-0), b2 synthesized Fh and water, c1 Fh slab with \({\text {[Mo]}_{\text{aq}}}\) (Mo-8), and c2 synthesized Fh with \({\text {[Mo]}_{\text{aq}}}\). The plots are offset in y-direction for clarity.