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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Nature Portfolio
2025-01-01
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| Online Access: | https://doi.org/10.1038/s41598-024-80473-4 |
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| author | Dhineshkumar Srinivasan Aruna-Devi Rasu Chettiar Eupsy Navis Vincent Mercy Latha Marasamy |
| author_facet | Dhineshkumar Srinivasan Aruna-Devi Rasu Chettiar Eupsy Navis Vincent Mercy Latha Marasamy |
| author_sort | Dhineshkumar Srinivasan |
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| description | 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. |
| format | Article |
| id | doaj-art-56d32b11584a4210a3a575e4bf611e51 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-56d32b11584a4210a3a575e4bf611e512025-02-02T12:22:21ZengNature PortfolioScientific Reports2045-23222025-01-0115112410.1038/s41598-024-80473-4Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cellsDhineshkumar Srinivasan0Aruna-Devi Rasu Chettiar1Eupsy Navis Vincent Mercy2Latha Marasamy3Facultad de Química, Materiales-Energía, Universidad Autónoma de QuerétaroFacultad de Química, Materiales-Energía, Universidad Autónoma de QuerétaroFacultad de Química, Materiales-Energía, Universidad Autónoma de QuerétaroFacultad de Química, Materiales-Energía, Universidad Autónoma de QuerétaroAbstract 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.https://doi.org/10.1038/s41598-024-80473-4 |
| spellingShingle | Dhineshkumar Srinivasan Aruna-Devi Rasu Chettiar Eupsy Navis Vincent Mercy Latha Marasamy Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells Scientific Reports |
| title | Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells |
| title_full | Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells |
| title_fullStr | Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells |
| title_full_unstemmed | Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells |
| title_short | Scrutinizing the untapped potential of emerging ABSe3 (A = Ca, Ba; B = Zr, Hf) chalcogenide perovskites solar cells |
| title_sort | scrutinizing the untapped potential of emerging abse3 a ca ba b zr hf chalcogenide perovskites solar cells |
| url | https://doi.org/10.1038/s41598-024-80473-4 |
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