Fig. 3: Solvent-solute interactions.

a Average binding energies of Pb²⁺ ions with solvents and their mixtures (evaluated on the tetracoordinated complexes shown in Supplementary Fig. 9). b, c Ab initio MD simulations of perovskites precursors in b DMSO and c THF/DMSO mixture after ~15 ps. All species are shown with balls and sticks representations. Pb ions are shown with golden color, I with pink color, Cs with greenish-blue, Br with orange, C with light blue, N with dark blue, O with red, S with yellow and H atoms with white color. In the b and c panels, lead coordination polyhedra are shown within a 3.6 Å cutoff.