Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells
Abstract 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...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-01-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-80473-4 |
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| Summary: | Abstract 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. |
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| ISSN: | 2045-2322 |