SIMULATION AND ANALYSIS OF TMDC SOLAR CELLS UNDER PROTON RADIATION USING MONTE-CARLO METHODS, SCAPS, AND MACHINE LEARNING TECHNIQUES

Abstract

The space-based energy solutions are currently relying on expensive silicon-based solar cells. In recent years, perovskite materials are also participating in this area as thin-film third generation solar cells. However, these materials come with built-in drawbacks against radiation environments. To address this issue, this research explores the possibility of using transition metal dichalcogenide (TMDC) materials as absorbers in space solar cells. Proton radiation is a common and primary occurrence in space. Hence, we investigated the effect of 0.15 MeV and 3 MeV proton radiation on four different TMDC heterojunction thin-film solar cells with frequently used hole and electron transport materials. We have used SR-NIEL web application, Monte-Carlo simulation toolkit SRIM, solar cell capacitance simulation SCAPS-1D, and machine learning analysis for evaluating the energy loss, defect creation and performance analysis. For 0.15 MeV and 3 MeV proton radiation, energy loss to ionization by ions, energy loss to ionization by recoils, energy loss to phonons by ions, energy loss to phonons by recoils, energy from ions, vacancies by ions, and replacement collisions are calculated. MoS2 and MoSe2 had higher power conversion efficiencies (PCE) of 28.16% and 28.11%, respectively, while WSe2 and WS2 had high short-circuit current densities (Jsc) of 39.36 mA/cm2 and 35.15 mA/cm2, respectively, under standard operating conditions (AM 1.5G, 1000 W/m2 incident photon flux). However, when exposed to 0.15 MeV proton radiation, the performance of all devices significantly decreased. MoSe2 and WS2 had relatively higher PCEs of 19.47% and 17.01%, respectively, compared to WSe2 and MoS2, indicating some resistance to radiation-induced deterioration. Machine learning predictions revealed that WS2 and WSe2 are more sensitive to proton radiation than MoSe2 and MoS2 absorbers. This implies that, despite their possibility for high Jsc and efficient power generation, WS2 and WSe2-based solar cells may be less suitable for areas with high proton radiation, as their performance can decrease rapidly under such conditions. MoSe2 and MoS2 absorber-based solar cells, on the other hand, appear to be more resistant to the negative effects of proton radiation, making them better candidates for use in radiation-rich areas. These findings emphasize the relevance of material robustness to radiation when building solar cells for space or radiation environments, as well as the promise of MoSe2 and MoS2 absorbers in such applications.