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. 2021 Apr 30;7(18):eabg3749. doi: 10.1126/sciadv.abg3749

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Fig. 2 — (A to C) FTIR spectra of fingerprint regions for C═O and S═O stretching vibrations. (A) C═O stretching detected from DMF (solution, black), PbI₂·DMF (powder, red), FAI (powder, blue), and FAI·PbI₂·DMF (powder, orange). (B) C═O stretching detected from NMP (solution, black), PbI₂·NMP (powder, red), and FAI·PbI₂·NMP (powder, orange). (C) S═O stretching measured for DPSO (powder, black), PbI₂·DPSO (powder, red), and FAI·PbI₂·DPSO (powder, orange). The blue line represents the spectra of FAI (powder). (D to I) Molecular structures resulting from DFT calculations. Molecular structures of (D) PbI₂·DMF, (E) PbI₂·NMP, (F) PbI₂·DPSO, (G) FA⁺·DMF, (H) FA⁺·NMP, and (I) FA⁺·DPSO. (J) Interaction energy of solvent or additive molecules with the perovskite precursor species FA⁺ and PbI₂.