Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement
Abstract In this work, CsPb.625Zn.375IBr2-based perovskite solar cells (PSCs) are numerically simulated and optimized under ideal lighting conditions using the SCAPS-1D simulator. We investigate how various hole transport layers (HTL) including Zn3P2, PTAA, MoS2, MoO3, MEH-PPV, GaAs, CuAlO2, Cu2Te,...
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Nature Portfolio
2024-12-01
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| Online Access: | https://doi.org/10.1038/s41598-024-81797-x |
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| author | M. Khalid Hossain Md Aminul Islam M. Shihab Uddin Prabhu Paramasivam Junainah Abd Hamid Razan A. Alshgari V. K. Mishra Rajesh Haldhar |
| author_facet | M. Khalid Hossain Md Aminul Islam M. Shihab Uddin Prabhu Paramasivam Junainah Abd Hamid Razan A. Alshgari V. K. Mishra Rajesh Haldhar |
| author_sort | M. Khalid Hossain |
| collection | DOAJ |
| description | Abstract In this work, CsPb.625Zn.375IBr2-based perovskite solar cells (PSCs) are numerically simulated and optimized under ideal lighting conditions using the SCAPS-1D simulator. We investigate how various hole transport layers (HTL) including Zn3P2, PTAA, MoS2, MoO3, MEH-PPV, GaAs, CuAlO2, Cu2Te, ZnTe, MoTe2, CMTS, CNTS, CZTS, CZTSe and electron transport layers (ETL) such as CdS, SnS2, ZnSe, PC60BM interact with the devices’ functionality. Following HTL material optimization, a maximum power conversion efficiency (PCE) of 16.59% was observed for the FTO/SnS2/CsPb.625Zn.375IBr2/MoS2/Au structure, with MoS2 proving to be a more economical option. The remainder of the investigation is done following the HTL optimization. We study how the performance of the PSC is affected by varying the materials of the ETL and to improve the PCE of the device, we finally optimized the thickness, charge carrier densities, and defect densities of the absorber, ETL, and HTL. In the end, the optimized arrangement produced a VOC of 0.583 V, a JSC of 43.95 mA/cm2, an FF of 82.17%, and a PCE of 21.05% for the FTO/ZnSe/CsPb.625Zn.375IBr2/MoS2/Au structure. We also examine the effects of temperature, shunt resistance, series resistance, generation rate, recombination rate, current-voltage (JV) curve, and quantum efficiency (QE) properties to learn more about the performance of the optimized device. At 300 K, the optimized device provides the highest thermal stability. Our research shows the promise of CsPb.625Zn.375IBr2-based PSCs and offers insightful information for further development and improvement. |
| format | Article |
| id | doaj-art-4a7d4bd5b4ae42e1a0130d54589f0771 |
| institution | OA Journals |
| issn | 2045-2322 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Nature Portfolio |
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| spelling | doaj-art-4a7d4bd5b4ae42e1a0130d54589f07712025-08-20T02:20:38ZengNature PortfolioScientific Reports2045-23222024-12-0114112210.1038/s41598-024-81797-xDesign and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancementM. Khalid Hossain0Md Aminul Islam1M. Shihab Uddin2Prabhu Paramasivam3Junainah Abd Hamid4Razan A. Alshgari5V. K. Mishra6Rajesh Haldhar7Institute of Electronics, Atomic Energy Research Establishment, Bangladesh Atomic Energy CommissionSchool of Electrical, Computer and Energy Engineering, Arizona State UniversityDepartment of Electrical and Electronic Engineering, Islamic UniversityCentre for Research Impact & Outcome, Chitkara University Institute of Engineering and Technology, Chitkara UniversityManagement and Science UniversityChemistry Department, College of Science, King Saud UniversitySchool of Chemical Engineering, Yeungnam UniversitySchool of Chemical Engineering, Yeungnam UniversityAbstract In this work, CsPb.625Zn.375IBr2-based perovskite solar cells (PSCs) are numerically simulated and optimized under ideal lighting conditions using the SCAPS-1D simulator. We investigate how various hole transport layers (HTL) including Zn3P2, PTAA, MoS2, MoO3, MEH-PPV, GaAs, CuAlO2, Cu2Te, ZnTe, MoTe2, CMTS, CNTS, CZTS, CZTSe and electron transport layers (ETL) such as CdS, SnS2, ZnSe, PC60BM interact with the devices’ functionality. Following HTL material optimization, a maximum power conversion efficiency (PCE) of 16.59% was observed for the FTO/SnS2/CsPb.625Zn.375IBr2/MoS2/Au structure, with MoS2 proving to be a more economical option. The remainder of the investigation is done following the HTL optimization. We study how the performance of the PSC is affected by varying the materials of the ETL and to improve the PCE of the device, we finally optimized the thickness, charge carrier densities, and defect densities of the absorber, ETL, and HTL. In the end, the optimized arrangement produced a VOC of 0.583 V, a JSC of 43.95 mA/cm2, an FF of 82.17%, and a PCE of 21.05% for the FTO/ZnSe/CsPb.625Zn.375IBr2/MoS2/Au structure. We also examine the effects of temperature, shunt resistance, series resistance, generation rate, recombination rate, current-voltage (JV) curve, and quantum efficiency (QE) properties to learn more about the performance of the optimized device. At 300 K, the optimized device provides the highest thermal stability. Our research shows the promise of CsPb.625Zn.375IBr2-based PSCs and offers insightful information for further development and improvement.https://doi.org/10.1038/s41598-024-81797-xDouble perovskite solar cellCsPb.625Zn.375IBr2 light absorberZnSe ETLMoS2 HTLSCAPS-1D |
| spellingShingle | M. Khalid Hossain Md Aminul Islam M. Shihab Uddin Prabhu Paramasivam Junainah Abd Hamid Razan A. Alshgari V. K. Mishra Rajesh Haldhar Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement Scientific Reports Double perovskite solar cell CsPb.625Zn.375IBr2 light absorber ZnSe ETL MoS2 HTL SCAPS-1D |
| title | Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement |
| title_full | Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement |
| title_fullStr | Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement |
| title_full_unstemmed | Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement |
| title_short | Design and simulation of CsPb.625Zn.375IBr2-based perovskite solar cells with different charge transport layers for efficiency enhancement |
| title_sort | design and simulation of cspb 625zn 375ibr2 based perovskite solar cells with different charge transport layers for efficiency enhancement |
| topic | Double perovskite solar cell CsPb.625Zn.375IBr2 light absorber ZnSe ETL MoS2 HTL SCAPS-1D |
| url | https://doi.org/10.1038/s41598-024-81797-x |
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