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<p>ABS<sub>3</sub>chalcogenide perovskites (CPs) are emerging as promising alternatives to lead halide perovskites due to their unique properties. However, their bandgap exceeds the Shockley-Queisser limit. By substituting S with Se, the bandgap is significantly reduced, shifting it from the visible into the near-infrared region. Hence, we have investigated the potential of Se-based absorbers with device structure FTO/TiO<sub>2</sub>/ABSe<sub>3&#xa0;</sub>(A = Ca, Ba; B = Zr, Hf)/NiO/Au using SCAPS-1D. We analyzed the critical parameters impacting each layer of the solar cell. Notably, we achieved an enhanced light absorption (~ 26.5%) at an optimal absorber thickness (500&#xa0;nm), intensifying carrier generation. Additionally, we observed an increase in V<sub>OC&#xa0;</sub>(1.03&#xa0;V) due to improved quasi-Fermi level splitting and a reduction in energy loss (0.45&#xa0;V) across all solar cells with an optimal absorber carrier concentration (10<sup>16&#xa0;&#xa0;</sup>cm<sup>−3</sup>). Overall, the optimization resulted in improvements in PCE by the difference of 20.14%, 20.44%, 14.33%, and 14.56% for CaZrSe<sub>3</sub>, BaZrSe<sub>3</sub>, CaHfSe<sub>3</sub>, and BaHfSe<sub>3&#xa0;</sub>solar cells, respectively. The maximum PCE of over 30% was attained for both CaZrSe<sub>3</sub>and BaZrSe<sub>3&#xa0;</sub>solar cells, attributed to their narrow bandgap, enhanced light absorption (53.60%), high J<sub>SC&#xa0;</sub>(29&#xa0;mA/cm<sup>2</sup>), and elevated generation rate of 1.19 × 10<sup>22&#xa0;</sup>cm<sup>−2</sup>s<sup>−1</sup>. Thus, these significant outcomes highlight the potential of these absorbers for fabricating high-efficiency CP solar cells.</p>

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Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells

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  • 发表日期：

    2025年1月27日

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  • Dhineshkumar Srinivasan,
  • Aruna-Devi Rasu Chettiar,
  • Eupsy Navis Vincent Mercy,
  • Latha Marasamy

摘要

ABS3chalcogenide perovskites (CPs) are emerging as promising alternatives to lead halide perovskites due to their unique properties. However, their bandgap exceeds the Shockley-Queisser limit. By substituting S with Se, the bandgap is significantly reduced, shifting it from the visible into the near-infrared region. Hence, we have investigated the potential of Se-based absorbers with device structure FTO/TiO2/ABSe3 (A = Ca, Ba; B = Zr, Hf)/NiO/Au using SCAPS-1D. We analyzed the critical parameters impacting each layer of the solar cell. Notably, we achieved an enhanced light absorption (~ 26.5%) at an optimal absorber thickness (500 nm), intensifying carrier generation. Additionally, we observed an increase in VOC (1.03 V) due to improved quasi-Fermi level splitting and a reduction in energy loss (0.45 V) across all solar cells with an optimal absorber carrier concentration (1016  cm−3). Overall, the optimization resulted in improvements in PCE by the difference of 20.14%, 20.44%, 14.33%, and 14.56% for CaZrSe3, BaZrSe3, CaHfSe3, and BaHfSe3 solar cells, respectively. The maximum PCE of over 30% was attained for both CaZrSe3and BaZrSe3 solar cells, attributed to their narrow bandgap, enhanced light absorption (53.60%), high JSC (29 mA/cm2), and elevated generation rate of 1.19 × 1022 cm−2s−1. Thus, these significant outcomes highlight the potential of these absorbers for fabricating high-efficiency CP solar cells.