- Article
Unraveling Electron-Matter Dynamics in Halide Perovskites Through Monte Carlo Insights into Energy Deposition and Radiation Effects in MAPbI3
- Ivan E. Novoselov and
- Ivan S. Zhidkov
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.
10 December 2025



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