fig2

Figure 2. Interfacial cation hydration from AIMD. Cation-O(water) radial distribution functions (RDFs, gray, left axis) and running coordination numbers (RCNs, red, right axis) for Li⁺, Na⁺, and K⁺ at Au(111) in (A-C) and Pt(111) in (D-F). Within each group, the panels follow the order Li⁺, Na⁺, and K⁺. Black annotations identify the first RDF maxima in Å, and red annotations give the first-shell coordination numbers. Statistics were calculated from the final 5 ps of the unconstrained trajectories. Insets show representative hydration configurations rendered using VESTA 3.5.8.^[53].