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Ab Initio Predictions of the Electronic Stopping Power of a H projectile in FAPbI<sub>3</sub> and FA(Pb<sub>0.875</sub>Sr<sub>0,125</sub>)I<sub>3</sub>

ORAL

Abstract

FAPbI3 perovskites are among the higher-performing materials for solar cells to date. It has been found that upon substitution of Pb by the non-toxic alkaline earth metal Sr, there is increased thermal & environmental stability. For space applications, the perovskite's radiation resistance, in the scope of electronic stopping power, is an important parameter to consider. The electronic stopping power describes the energy transfer rate to electrons in the material during ion irradiation. Through the utilization of the software, Stopping and Range of Ions in Matter (SRIM), and first-principles time-dependent density functional theory (TD-DFT) methodologies, we calculate the electronic stopping power in pristine and Sr-doped formamidinium lead iodide perovskites (FAPbI3) with the inclusion of several intrinsic defects. From simulations, we estimate the effects of Sr-doping on the stopping process of ions in these defective systems and their implications in the development of photovoltaic devices for space missions.

Presenters

  • Rosty B Martinez Duque

    Oklahoma State University-Stillwater

Authors

  • Rosty B Martinez Duque

    Oklahoma State University-Stillwater

  • Mario F Borunda

    Oklahoma State University-Stillwater

  • Brian C Leininger

    Oklahoma State University-Stillwater