10.57647/jtap.2026.2004.04

Breakthrough 31.25% Efficiency in Lead-Free Double Perovskite Tandem Solar Cells: A Novel Cs₂AgBi₀.₇₅Sb₀.₂₅Br₆/CsSnI₃ Design via SCAPS-1D Simulation

PDF
  • Sarowr Basm Almahsen*1,
  • Ghaleb Ali Al-Dahash1,
  1. Laser Physics Department, College of Science for Women, University of Babylon, Hilla, Iraq

Received: 2026-01-08

Revised: 2026-02-11

Accepted: 2026-03-30

Published in Issue 2026-08-31

Copyright (c) 2026 Sarowr Basm Almahsen, Ghaleb Ali Al-Dahash (Author)

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

1.
Almahsen SB, Al-Dahash GA. Breakthrough 31.25% Efficiency in Lead-Free Double Perovskite Tandem Solar Cells: A Novel Cs₂AgBi₀.₇₅Sb₀.₂₅Br₆/CsSnI₃ Design via SCAPS-1D Simulation. J Theor Appl phys. 2026 Aug. 31;20(4). Available from: https://oiccpress.com/jtap/article/view/19082
Crossref
Scopus
Google Scholar
Europe PMC

PDF views: 9

Abstract

This study examines lead-free double perovskite-based devices utilizing SCAPS-1D software simulations. The top cell in the perovskite structure studied here is a wide-bandgap double perovskite Cs2AgBi0.75Sb0.25Br6 (1.8 eV). In comparison, the bottom cell, made of CsSnI3, has a band gap of 1.4 eV. This work proposes and simulates a unique solar cell design that Cs2AgBi0.75Sb0.25Br6 and CsSnI3 perovskite as the primary absorber layer, tin oxide (TiO2) as the electron transport layer (ETL), and Cu2O as the hole transport layer. In order to optimize power conversion efficiency (PCE) under standard test conditions (AM1.5G, 1000 W/m2, 300 K), the thicknesses of the Cu₂O HTL, the CsSnI₃ bottom absorber, and the Cs2AgBi0.75Sb0.25Br6 top absorber will be optimized. The Cs2AgBi0.75Sb0.25Br6/CsSnI₃ structure exhibits significant spectrum absorption, resulting in a Jsc of 31.3560mA/cm² and a 31.25% efficiency at 300 K. Interfacial recombination, on the other hand, lowers F.F. to 88.70% and Voc to 1.123V, both of which are below the theoretical maximum. The findings show that the stability and toxicity problems of widely utilized Cs2AgBi0.75Sb0.25Br6 based PSCs may be resolved by lead-free double perovskites.

Keywords

  • Double Perovskite,
  • Cs2AgBi0.75Sb0.25Br6,
  • CsSnI₃,
  • New architecture,
  • Simulation,
  • SCAPS-1D
PDF

References

  1. Kannan, N., & Vakeesan, D. (2016). Solar energy for future world:-A review. Renewable and sustainable energy reviews, 62, 1092-1105.‏https://doi.org/10.1016/j.rser.2016.05.022
  2. Yang, W. S., Noh, J. H., Jeon, N. J., Kim, Y. C., Ryu, S., Seo, J., & Seok, S. I. (2015). High-performance photovoltaic perovskite layers fabricated through intramolecular exchange. Science, 348(6240), 1234-1237.‏ https://doi.org/10.1126/science.aaa9272
  3. Ge, M.; Yang, X.; Cai, B.; Pan, S.; Cui, H.; Zhang, T.; Ji, W. Naphthylmethylamine post-treatment of MAPbI3 perovskite solar cells with simultaneous defect passivation and stability improvement. Sol. Energy 2021, 220, 18–23. https://doi.org/10.1016/j.solener.2021.03.016
  4. Brenner, T. M., Egger, D. A., Kronik, L., Hodes, G., & Cahen, D. (2016). Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties. Nature Reviews Materials, 1(1), 1-16.‏ DOI https://doi.org/10.1038/natrevmats.2015.7
  5. Lin, Q., Armin, A., Nagiri, R. C. R., Burn, P. L., & Meredith, P. (2015). Electro-optics of perovskite solar cells. Nature Photonics, 9(2), 106-112.‏ https://doi.org/10.1038/nphoton.2014.284
  6. W. Shockley, H.J. Queisser, Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells, J. Appl. Phys. 32 (1961) 510–519.
  7. Amiri, S. and Dehghani, S., 2020. Design of highly efficient CZTS/CZTSe tandem solar cells. Journal of Electronic Materials, 49, pp.2164-2172. https://doi.org/10.1007/s11664-019-07898-w
  8. Elbar, M., Tobbeche, S., & Merazga, A. (2015). Effect of top-cell CGS thickness on the performance of CGS/CIGS tandem solar cell. Solar energy, 122, 104-112.‏ https://doi.org/10.1016/j.solener.2015.08.029
  9. Ragay, F. W., Marti, A., Araujo, G. L., & Wolter, J. H. (1996). Experimental analysis of the efficiency of heterostructure GaAs AlGaAs solar cells. Solar energy materials and solar cells, 40(1), 5-21.‏ https://doi.org/10.1016/0927-0248(95)00060-7
  10. Bedair, S. M., Lamorte, M. F., & Hauser, J. R. (1979). A two‐junction cascade solar‐cell structure. Applied Physics Letters, 34(1), 38-39.‏ https://doi.org/10.1063/1.90576
  11. Sani, F., Shafie, S., Lim, H. N., & Musa, A. O. (2018). Advancement on lead-free organic-inorganic halide perovskite solar cells: a review. Materials, 11(6), 1008.‏ https://doi.org/10.3390/ma11061008
  12. Ijam, A. (2025). Design and Assessment of the Electrical Characteristics of Cs2AgBi0. 75Sb0. 25Br6 Perovskite Solar Cell: A Numerical Study. Results in Engineering, 105180.‏ https://doi.org/10.1016/j.rineng.2025.105180
  13. Lei, H., Hardy, D., & Gao, F. (2021). Lead‐free double perovskite Cs2AgBiBr6: fundamentals, applications, and perspectives. Advanced Functional Materials, 31(49), 2105898.‏ https://doi.org/10.1002/adfm.202105898
  14. Mehrabian, M., Norouzzadeh, P., & Akhavan, O. (2025). Numerical optimization of cesium tin-germanium triiodide/antimony selenide perovskite solar cell with fullerene nanolayer. Journal of Physics and Chemistry of Solids, 196, 112370.‏
  15. https://doi.org/10.1016/j.jpcs.2024.112370
  16. Magdalin, A. E., Nixon, P. D., Jayaseelan, E., Sivakumar, M., Devi, S. K. N., Subathra, M. S. P., ... & Ananthi, N. (2023). Development of lead-free perovskite solar cells: Opportunities, challenges, and future technologies. Results in Engineering, 20, 101438.‏ https://doi.org/10.1016/j.rineng.2023.101438
  17. Pan, W., Wu, H., Luo, J., Deng, Z., Ge, C., Chen, C., ... & Tang, J. (2017). Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit. Nature photonics, 11(11), 726-732. https://doi.org/10.1038/s41566-017-0012-4
  18. Wang, B., Li, N., Yang, L., Dall’Agnese, C., Jena, A. K., Sasaki, S. I. & Wang, X. F. (2021). Chlorophyll derivative-sensitized TiO2 electron transport layer for record efficiency of Cs2AgBiBr6 double perovskite solar cells. Journal of the American Chemical Society, 143(5), 2207-2211.‏ https://pubs.acs.org/doi/10.1021/jacs.0c12786
  19. Ning, W., Wang, F., Wu, B., Lu, J., Yan, Z., Liu, X., ... & Gao, F. (2018). Long electron–hole diffusion length in high‐quality lead‐free double perovskite films. Advanced Materials, 30(20), 1706246.‏ https://doi.org/10.1002/adma.201706246
  20. McClure, E. T., Ball, M. R., Windl, W., & Woodward, P. M. (2016). Cs2AgBiX6 (X= Br, Cl): new visible light absorbing, lead-free halide perovskite semiconductors. Chemistry of Materials, 28(5), 1348-1354.‏ https://pubs.acs.org/doi/10.1021/acs.chemmater.5b04231
  21. Slavney, A. H., Hu, T., Lindenberg, A. M., & Karunadasa, H. I. (2016). A bismuth-halide double perovskite with long carrier recombination lifetime for photovoltaic applications. Journal of the American chemical society, 138(7), 2138-2141.‏ https://doi.org/10.1021/jacs.5b13294
  22. Zhang, T., Li, H., Ban, H., Sun, Q., Shen, Y., & Wang, M. (2020). Efficient CsSnI 3-based inorganic perovskite solar cells based on a mesoscopic metal oxide framework via incorporating a donor element. Journal of materials chemistry A, 8(7), 4118-4124.‏
  23. https://doi.org/10.1039/C9TA11794F
  24. Hossain, M. K., Toki, G. I., Samajdar, D. P., Mushtaq, M., Rubel, M. H. K., Pandey, R., ... & Bencherif, H. (2023). Deep insights into the coupled optoelectronic and photovoltaic analysis of lead-free CsSnI3 perovskite-based solar cell using DFT calculations and SCAPS-1D simulations. ACS omega, 8(25), 22466-22485.‏ https://pubs.acs.org/doi/full/10.1021/acsomega.3c00306
  25. Burgelman, M., Verschraegen, J., Degrave, S., & Nollet, P. (2004). Modeling thin‐film PV devices. Progress in Photovoltaics: Research and Applications, 12(2‐3), 143-153.‏
  26. Burgelman, M., Nollet, P., & Degrave, S. (2000). Modelling polycrystalline semiconductor solar cells. Thin solid films, 361, 527-532.‏ https://doi.org/10.1016/S0040-6090(99)00825-1
  27. Helander, M. G., Greiner, M. T., Wang, Z. B., Tang, W. M., & Lu, Z. H. (2011). Work function of fluorine doped tin oxide. Journal of Vacuum Science & Technology A, 29(1).‏ https://doi.org/10.1116/1.3525641
  28. Hossain, M. I., Alharbi, F. H., & Tabet, N. (2015). Copper oxide as inorganic hole transport material for lead halide perovskite based solar cells. Solar energy, 120, 370-380.‏ https://doi.org/10.1016/j.solener.2015.07.040
  29. N. Singh, A. Agarwal, and M. Agarwal, “Numerical simulation of highly efficient lead-free all-perovskite tandem solar cell,” Sol. Energy, vol. 208, pp. 399–410, 2020. https://doi.org/10.1016/j.solener.2020.08.003
  30. J. Madan, R. Pandey, and R. Sharma, “Device simulation of 17.3% efficient lead-free all-perovskite tandem solar cell,” Sol. energy, vol. 197, pp. 212–221, 2020. https://doi.org/10.1016/j.solener.2020.01.006
  31. W.-J. Yin, J.-H. Yang, J. Kang, Y. Yan, and S.-H. Wei, “Halide perovskite materials for solar cells: a theoretical review,” J. Mater. Chem. A, vol. 3, no. 17, pp. 8926–8942, 2015. https://doi.org/10.1039/C4TA05033A
  32. Bhattarai, S., Pandey, R., Madan, J., Ahmed, F., & Shabnam, S. (2022). Performance improvement approach of all inorganic perovskite solar cell with numerical simulation. Materials Today Communications, 33, 104364.‏ https://doi.org/10.1016/j.mtcomm.2022.104364
  33. Singh, A. K., Srivastava, S., Mahapatra, A., Baral, J. K., & Pradhan, B. (2021). Performance optimization of lead free-MASnI3 based solar cell with 27% efficiency by numerical simulation. Optical Materials, 117, 111193. https://doi.org/10.1016/j.optmat.2021.111193
  34. Tara, A., Bharti, V., Sharma, S., & Gupta, R. (2021). Device simulation of FASnI3 based perovskite solar cell with Zn (O0. 3, S0. 7) as electron transport layer using SCAPS-1D. Optical Materials, 119, 111362.‏ https://doi.org/10.1016/j.optmat.2021.111362
  35. Son, D. Y., Im, J. H., Kim, H. S., & Park, N. G. (2014). 11% efficient perovskite solar cell based on ZnO nanorods: an effective charge collection system. The Journal of Physical Chemistry C, 118(30), 16567-16573.‏ https://doi.org/10.1021/jp412407j
  36. Kırbıyık, Ç., Kara, D. A., Kara, K., Büyükçelebi, S., Yiğit, M. Z., Can, M., & Kuş, M. (2019). Improving the performance of inverted polymer solar cells through modification of compact TiO2 layer by different boronic acid functionalized self-assembled monolayers. Applied Surface Science, 479, 177-184.‏ https://doi.org/10.1016/j.apsusc.2019.01.268
  37. Nie, J., Zhang, Y., Wang, J., Li, L., & Zhang, Y. (2024). Recent progress in regulating surface potential for high-efficiency perovskite solar cells. ACS Energy Letters, 9(4), 1674-1681.‏ https://doi.org/10.1021/acsenergylett.4c00240
  38. Yass, A., Al-Dahash, G. A., & Abd, J. A. (2025). Optimization of absorption layer and back reflection layer thicknesses for enhanced solar cell efficiency. Results in Optics, 100870.‏ https://doi.org/10.1016/j.rio.2025.100870
  39. Kundara, R., & Baghel, S. (2025). Performance optimization of CsSnI3-based perovskite solar cells using SCAPS-1D and machine learning analysis. Journal of Optics, 1-14. https://doi.org/10.1007/s12596-025-02510-3
  40. Yadav, A., Kundara, R., & Baghel, S. (2023). Investigating the efficiency and optimization of germanium-based perovskite solar cell using SCAPS 1D. Indian Journal of Engineering and Materials Sciences (IJEMS), 30(5), 706-712. https://doi.org/10.56042/ijems.v30i5.6863
  41. Bhujbal, P. K., Sakunde, B., Supekar, A., Bh, H., Saini, S., Dhirhe, D. & Pathan, H. M. (2024). Unlocking the potential of WS2 as an electron transport layer in lead-free methylammonium tin iodide-based perovskite solar cells: a comprehensive defect study using the SCAPS-1D framework. ES Energy & Environment, 26, 1225. http://dx.doi.org/10.30919/esee1225
  42. Ijam, A. (2025). Design and Assessment of the Electrical Characteristics of Cs2AgBi0. 75Sb0. 25Br6 Perovskite Solar Cell: A Numerical Study. Results in Engineering, 105180. https://doi.org/10.1016/j.rineng.2025.105180
  43. Jaiswal, N., Kumari, D., Shukla, R., & Pandey, S. K. (2023). Design and performance optimization of eco-friendly Cs2AgBiBr6 double perovskite solar cell. Journal of Electronic Materials, 52(12), 7842-7849.‏
  44. https://doi.org/10.1007/s11664-023-10705-2
  45. Islam, M. A., Abou Hashish, M. D., Hatta, S. M., Soin, N. B., Khan, S., & Amin, N. (2023, February). Device optimization of a Pb-free all perovskite tandem solar cell with 29.59% power conversion efficiency. In IOP Conference Series: Materials Science and Engineering (Vol. 1278, No. 1, p. 012005). IOP Publishing.‏ https://doi.org/10.1088/1757-899X/1278/1/012005
  46. Almahsen, S. B., & Al-Dahash, G. A. (2025). High-efficiency lead-free all-perovskite tandem solar cells achieving 28.22% power conversion efficiency: A Cs2AgBi0. 75Sb0. 25Br6/FASnI3 heterostructure design. Results in Optics, 100882. https://doi.org/10.1016/j.rio.2025.100882