Automated wideline nuclear quadrupole resonance of mixed-cation lead halide perovskites

This is a collection of data used to demonstrate the utility of automated, wideline nuclear Quadrupole Resonance (NQR) in the associated article of the same name. NQR is a sensitive probe of local structure, whose application is limited by the large spectral linewidths when the sample structure is in some way disordered. By automating the process of tuning the hardware and acquiring spectra, measuring disordered materials becomes vastly more accessible. This is demonstrated on lead halide perovskites (LHP), a photovoltaic material with potential applications in solar cells and more. Most of the data in this collection are the products of this automated procedure. The raw data are predominantly 127I NQR subspectra of so-called Variable Offset Cumulative Spectra (VOCS) of LHPs MAxFA1-xPbI3 (x = 0.25, 0.50, 0.75) at various temperatures (293 – 420 Kelvin). The rest of the data is supportive in nature, concerning e.g. the integrity of the samples (1H and 13C solid state NMR) and the experimental setup (power and standing wave ratios at various offset frequencies).
Main article preprint (2025-03-31): https://doi.org/10.5194/mr-2025-2