Fig. 1: Representative AIMD snapshots and electronic properties of alkali metal-ammonia solutions.
From: Rapid flipping between electrolyte and metallic states in ammonia solutions of alkali metals
a–d AIMD simulation snapshots of alkali metal-ammonia solutions at concentrations of 3.0, 6.0, 11.1, and 13.5 MPM, illustrating the spatial distribution of solvated electrons within the solvent. e, g, i, k Corresponding spherical band structures (SBS) at the same concentrations. The SBS data are normalised such that the maximum displayed value is 1, with values exceeding 1 set to 1 to enhance contrast, consistently across all panels. f, h, j, l Associated density of states (DoS) for each concentration. For clarity, only the valence and conduction bands near the Fermi level (black dashed line), EF, are displayed.
