Perfluoroarene-Based 2D/3D Perovskite Solar Cells

Structural, Optoelectronic, Photovoltaic, and Supplementary Characterization Data for

“Perfluoroarene-Based 2D/3D Perovskite Solar Cells” (DOI: 10.5281/zenodo.15093108)

Main Figures:

Figure 2: XRD and PL data for n = 1 F-PDMA and F-BNA-based perovskite films, XPS F 1s and N 1s core-level spectra, and UPS spectra of the 3D control and F-BNA or F-PDMA-treated samples.

Figure 3: J–V curves of the champion control, F-BNA, and F-PDMA-treated devices. Statistical distribution of open-circuit voltage (V_OC), short-circuit current density (J_SC), fill factor (FF), and power conversion efficiency (PCE) for control, F-BNA, and F-PDMA-treated devices.

Figure 4: Maximum power point (MPP) tracking of F-BNA and F-PDMA-treated solar cells (with MACl additive to the 3D perovskite). Contact angle measurements of a water droplet over time on 3D perovskite films (Ref) and 3D/2D films with F-PDMAI₂ or F-BNAI overlayer.

Supplementary Figures:

Figure S1–S6: ¹H, ¹³C, and ¹⁹F NMR spectra of F-BNAI and F-PDMAI₂.

Figure S7–S9: GIWAXS reciprocal space maps and azimuthal profiles (extracted from h5 files) for (F-BNA)₂PbI₄ and (F-PDMA)PbI₄ films.

Figure S10: UV-Vis absorption and PL raw spectra of perfluoroarene-based n = 1 2D perovskite films.

Figure S11–S13: GIWAXS reciprocal space maps and h5 files of (a) control 3D, (b) F-BNA-treated, and (c) F-PDMA-treated films.

Figure S14: XPS C 1s core-level spectra of 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer on FTO glass.

Figure S15: PL spectra of 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer on microscope glass.

Figure S16–S17: TRPL spectra of (1) reference 3D perovskite films, (2) MACl-treated 3D perovskite films, and (3) 3D/2D films with F-PDMAI₂ or F-BNAI overlayers on glass or microscope glass with HTM on top.

Figure S18: SEM images of perovskite surfaces: (a) 3D films (Ref), (b) F-BNAI-treated 2D/3D films, and (c) F-PDMAI₂-treated 2D/3D films on FTO glass.

Figure S19: UPS spectra determining the kinetic energy around the secondary electron cut-off for control (Ref) and F-BNA/F-PDMA-treated perovskite films on FTO glass.

Figure S20: J–V curve of the champion perovskite solar cells based on (Cs₀.₀₅FA₀.₈₅MA₀.₁₀)Pb(I₀.₉₇Br₀.₀₃)₃ with an F-BNAI or F-PDMAI₂ overlayer.

Figure S21: UV-Vis spectra of 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer in the presence of MACl additive on glass.

Figure S22: Tauc plot for optical bandgap determination of 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer in the presence of MACl additive on glass.

Figure S23: PL spectra of 3D perovskite films (Ref) and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer in the presence of MACl additive on microscope glass.

Figure S24: XRD pattern of 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer in the presence of MACl additive on microscope glass.

Figure S25: Statistical distribution of photovoltaic metrics (V_OC, J_SC, FF, PCE) for control (3D Ref), MACl-treated devices (10% additive), and an overlayer-treated group.

Figure S26: J–V characteristics of champion perovskite solar cells based on (Cs₀.₀₅FA₀.₈₅MA₀.₁₀)Pb(I₀.₉₇Br₀.₀₃)₃ with MACl additive and F-BNAI or F-PDMAI₂ treatment.

Figure S27: Evolution of PCE during operation: (top) MPP tracking and (bottom) normalized performance of control (black), F-BNA-treated (blue), and F-PDMA-treated (red) perovskite solar cells in an N₂ atmosphere under 1 sun irradiation at ambient temperature.

Figure S28: Contact angle measurement of a water droplet on 3D perovskite films and 3D/2D films with either F-PDMAI₂ or F-BNAI overlayer on glass.