This data article describes a dataset generated by using SCAPS-1D simulation software to capture photovoltaic performance metrics for perovskite solar cells (PSC). The data collection process involved systematically modeling a range of device configurations by varying perovskite compositions, layer thicknesses, and combinations of charge transport layers. Key parameters such as open-circuit voltage, short-circuit current density, fill factor, and power conversion efficiency were recorded, with simulation outputs provided in Excel files. Additional files include detailed material databases featuring physical properties of electron and hole transport layers—such as band gap energies, electron affinities, dielectric permittivity, and carrier mobilities—organized in separate spreadsheets.

The results of numerical SRIM and SCAPS calculations for the ionization, displacement and heating of hybrid perovskites under the influence of protons (E = 0.15, 3.0 and 18 MeV) are presented and show that the lowest transfer energy is demonstrated by the MAPbI₃, FAPbBr₃ and FAPbI₃ compounds, which represent the greatest potential for use as solar cells in space devices. On the other hand, it is found that perovskite compositions containing FA and Cs and with mixed cations are the most stable from the point of view of the formation of vacancies and phonons and are also promising as radiation-resistant materials with respect to powerful proton fluxes. Taking into account the lateral distribution of proton tracks showed that, at an energy level of several MeV, the release of their energy can be considered uniform over the depth and area of the entire solar cell, suggesting that the simple protection by plastic films from the low-energy protons is sufficient.

Hybrid halide perovskites are promising materials for optoelectronics and space applications due to their excellent light absorption, high efficiency, and light weight. However, their stability under radiation exposure remains a key challenge, especially in space environments, where high-energy particles can cause significant damage. Here, we present the effects of primary and secondary radiation on perovskite materials, using Monte-Carlo simulations with the GEANT4 toolkit. The interactions of protons, electrons, neutrons, and γ-rays with APbI3 (A = Ma, FA, Cs) perovskites under space-relevant conditions typical for low Earth orbit (LEO) were studied. The results show that different perovskite compositions respond uniquely to radiation: CsPbI₃ generates higher-energy secondary positrons, neutrons, and protons, while MAPbI₃ produces more secondary electrons under proton irradiation. Mixed-cation perovskites exhibit narrower energy distributions for secondary γ-rays, indicating material-dependent differences in radiation tolerance. These findings suggest the potential role of secondary particle generation in perovskite degradation, based on our simulations, and they emphasize the need for comprehensive modeling to improve the radiation resistance of perovskite-based technologies for space applications. Future studies should consider contributions from encapsulating materials in device structures.

Lead halide perovskites, including single-cation (MAPbI₃, FAPbI₃, CsPbI₃) and mixed-cation (Cs_0.12FA_0.88PbI₃, Cs_0.1MA_0.15FA_0.75PbI₃) compositions, are promising for both space photovoltaics and γ-ray detection due to their tunable optoelectronic properties. However, their response to high-energy radiation remains critical for reliable operation. We performed Monte-Carlo simulations using GEANT4 to investigate photon interactions (0.1–90 MeV) with perovskites of varying composition and thickness (1 cm to 1 μm). Results indicate that heavy atoms (Pb, I) dominate photoelectric absorption and scattering, broadly similar absorbed energies and event rates across compositions. Cs-containing perovskites exhibit slightly higher absorption and ionization, whereas FA- and MA-rich compositions show reduced photoelectric and Rayleigh scattering. Layer thickness strongly influences the radiation response: ultrathin films display fewer interactions with higher per-event energy, while millimeter-scale layers achieve efficient absorption and enable pair-production events at MeV energies. The sequence of dominant processes follows the expected energy dependence: photoelectric effect at low energies, Compton and Rayleigh scattering at intermediate energies, and pair production at high energies. These findings demonstrate that perovskite γ-interaction is primarily governed by heavy-atom content, with A-site cations fine-tuning the process balance, and that device performance for detection or photovoltaics depends critically on layer thickness.

Lead halide perovskites, exemplified by methylammonium (MA) lead iodide (MAPbI₃), combine strong optical absorption, long carrier diffusion lengths, and defect-tolerant electronic structure with facile processing, making them attractive for photovoltaics and radiation detection. Yet, their behavior under electron irradiation remains insufficiently understood, limiting deployment in space and dosimetry contexts. Here, we employ Monte Carlo simulations (Geant4) to model electron interactions with MAPbI₃ across energies from 0.1 to 100 MeV and absorber thicknesses from 10 μm to 1 cm. We quantify deposited energy, event statistics, energy per interaction, non-ionizing energy loss, and dominant radiation effects. The results reveal strong thickness-dependent regimes: thin photovoltaic-type layers (~hundreds of nanometers) are largely transparent to MeV electrons, minimizing bulk damage but allowing localized ionization, exciton self-trapping, and photoexcitation-driven ion migration. Although localized excitations can temporarily improve carrier collection under short-term exposure, their cumulative effect drives ionic rearrangement and defect growth, ultimately reducing device stability. In contrast, thicker detector-type films (10–100 μm) sustain multiple scattering and ionization cascades, enhancing sensitivity but accelerating defect accumulation. At centimeter scales, energy deposition saturates, enabling bulk-like absorption for high-flux dosimetry. Overall, electron irradiation in MAPbI₃ is dominated by electronic excitation rather than ballistic displacements, underscoring the need to optimize thickness and composition to balance efficiency, sensitivity, and durability.