Research data supporting: "Molecular Dipole Buffer Layer Enabling Compact Interfaces in Perovskite Solar Cells"

Detailed description: This dataset contains raw and processed data supporting the manuscript, including: - EQE data: External Quantum Efficiency spectra were recorded using a Keithley 2400 source meter under monochromatic light irradiation from a xenon lamp. - JV curves: J–V curves were obtained under simulated AM 1.5G solar illumination with an intensity of 100 mW/cm², used for efficiency calculation under an N₂ atmosphere using a Keithley 2400 source meter. (To evaluate the impact of BTI-N on device performance, inverted PSCs with a structure of ITO/MeO-2PACz (HTL)/perovskite/PCBM (ETL)/Ag were fabricated, comparing PCBM-only, BCP/PCBM, and BTI-N/PCBM configurations.) - ToF-SIMS data: Depth profiling results showing elemental distribution across the device layers. (ToF-SIMS depth profiling was performed on devices with BCP/Ag and BTI-N/Ag structures before and after heating at 120 °C for 24 h in ambient conditions (Figure 3e, f), using a thin Ag layer (~20 nm)) - UPS data: Ultraviolet Photoelectron Spectroscopy measurements for determining the work function and valence band maximum of the electrode and buffer-modified surfaces. (UPS spectra of bare Ag electrodes compared with those coated by the BTI-N layer.) - XPS data: X-ray Photoelectron Spectroscopy measurements for analyzing elemental composition and chemical states at the electrode/buffer interface. (The XPS spectra of the Ag 3d regions for pristine and Ag-deposited BTI-N films ) - AFM : Atomic force microscopy (AFM) analysis was performed using a high-resolution MFP-3D AFM system (Asylum Research/Oxford Instruments) operated in tapping mode, employing aluminum-coated silicon probes (Tap-150Al-G, BudgetSensors). For each buffer layer condition, five independent samples were measured, with three to five areas scanned per sample to ensure statistical consistency and representative evaluation of surface morphology.) - PL mapping : Wide-field microscopy was conducted using a Photon etc. IMA system, equipped with a 20× magnification Olympus objective lens (NA = 0.8). To correct for optical aberrations, the system was calibrated with a reference sample, allowing us to determine the post-processing parameters needed to correct image distortions. Chromatic aberrations were minimized by calibrating the z-position of the sample for each collected wavelength. A continuous wave 405 nm laser with intensity of 170 mW/cm² served as the excitation source, filtered through a high-quality 405 nm Semrock dichroic mirror to separate the photoluminescence signal from the excitation. The emitted light from the sample was directed onto a Hamamatsu CMOS camera with a 2048×2048 pixel array. During the measurement, the encapsulated device was switched to open-circuit or short-circuit by connection to a Keithley 2450. The PL mapping dataset consists of six files, which correspond directly to the distributions shown in Figure 4a–f of the manuscript: (a) PCBM-only under OC, (b) BSP/PCBM under OC, (c) BTI-N/PCBM under OC, (d) PCBM-only under SC, (e) BCP/PCBM under SC, and (f) BTI-N/PCBM under SC. Additionally, histogram plots of PL intensity under OC and SC conditions are shown in Figure 4g–h. These plots were generated from the datasets described above.