Fig. 2: Molecular binding interactions between PVSK and NFAs.

a Calculated binding energies for NFA-bound FAPbI3 (100) surface. b, c Optimized structures for FAPbI3 (100) terminations adsorbed with NFA units. d Single-crystal structure of PbI2-Phen and FAI-15C5. e XPS spectra of PVSK/NFA films showing the comparison of Pb-S and C-S-C signals. f Schematic diagram of the band diagram of NFA-coated PVSK film.