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HomeJournal of Nano ResearchJournal of Nano Research Vol. 92Experiment Calibrated and Uncertainty Aware...

Experiment Calibrated and Uncertainty Aware Benchmarking Framework for Lead Tin Perovskite Solar Cells

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Abstract:

Pb–Sn mixed perovskite solar cells offer narrow bandgaps suitable for high efficiency photovoltaic applications, yet numerical simulations often overestimate experimental performance due to neglected defect and interface losses. In this work, an experiment calibrated and uncertainty aware benchmarking framework for Pb–Sn perovskite solar cells is developed using drift diffusion modeling combined with Monte Carlo sampling. Series resistance and interfacial recombination parameters are calibrated against twelve experimentally reported devices to ensure quantitative agreement. Global sensitivity analysis based on Sobol indices and partial rank correlation coefficients identifies bulk trap density as the dominant efficiency limiting factor, contributing more than 70% of the total performance variance, followed by interfacial recombination. Statistical yield analysis reveals that efficiencies above 20% are only probabilistically achievable under strict trap suppression and optimized band alignment conditions. The framework provides reproducible, population level design rules for Pb–Sn perovskite devices and establishes a reliable modeling platform for performance prediction and manufacturability assessment.

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Journal of Nano Research Vol. 92

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Periodical:

Journal of Nano Research (Volume 92)

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103-126

DOI:

https://doi.org/10.4028/p-CjlZ8h

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Online since:

March 2026

Authors:

Manala Tabu Mbumba*, Godlisten Gladstone Kombe, Benard Samwel Mwankemwa, Salma Maneno Masawa

Keywords:

Benchmarking, Drift-Diffusion, Multi-Scale Modeling, Pb-Sn Perovskite, Uncertainty Quantification

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© 2026 Trans Tech Publications Ltd. All Rights Reserved

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* - Corresponding Author

[1] NREL, "Interactive Best Research-Cell Efficiency Chart," Photovoltaic Research, 2025.

[2] W. Ayaydah, E. Raddad, and Z. Hawash, "Sn-Based Perovskite Solar Cells towards High Stability and Performance," Micromachines, vol. 14, no. 4, 2023.

DOI: 10.3390/mi14040806

[3] J. Liu et al., "28.2%-Efficient, Outdoor-Stable Perovskite/Silicon Tandem Solar Cell," Joule, vol. 5, no. 12, p.3169–3186, 2021.

DOI: 10.1016/j.joule.2021.11.003

[4] S. Y. Hong, D. S. Lee, H. J. Lee, K.-H. Hong, and S. H. Im, "Recent progress in Pb-, Sn-, and Pb–Sn-based inorganic perovskite solar cells: toward enhanced stability and efficiency," EES Sol., p.441–481, 2025.

DOI: 10.1039/d5el00065c

[5] Y. Wu, D. Wang, J. Liu, and H. Cai, "Review of interface passivation of perovskite layer," Nanomaterials, vol. 11, no. 3, p.1–19, 2021.

DOI: 10.3390/nano11030775

[6] W. E. I. Sha et al., "Quantifying Efficiency Loss of Perovskite Solar Cells by a Modified Detailed Balance Model," Adv. Energy Mater., vol. 8, no. 8, p.1–21, 2018.

DOI: 10.1002/aenm.201701586

[7] T. S. Sherkar et al., "Recombination in Perovskite Solar Cells: Significance of Grain Boundaries, Interface Traps, and Defect Ions," ACS Energy Lett., vol. 2, no. 5, p.1214–1222, 2017.

DOI: 10.1021/acsenergylett.7b00236

[8] W. Clarke, P. Cameron, and G. Richardson, "Predicting Long-Term Stability from Short-Term Measurement: Insights from Modeling Degradation in Perovskite Solar Cells during Voltage Scans and Impedance Spectroscopy," J. Phys. Chem. Lett., vol. 15, no. 47, p.11730–11736, 2024.

DOI: 10.1021/acs.jpclett.4c02343

[9] A. Walsh, D. O. Scanlon, S. Chen, X. G. Gong, and S.-H. Wei, "Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites," Angew. Chemie, vol. 127, no. 6, p.1811–1814, 2015.

DOI: 10.1002/ange.201409740

[10] S. De Wolf et al., "Organometallic halide perovskites: Sharp optical absorption edge and its relation to photovoltaic performance," J. Phys. Chem. Lett., vol. 5, no. 6, p.1035–1039, 2014.

DOI: 10.1021/jz500279b

[11] M. Burgelman, P. Nollet, and S. Degrave, "Modelling polycrystalline semiconductor solar cells," Thin Solid Films, vol. 361, p.527–532, 2000.

DOI: 10.1016/S0040-6090(99)00825-1

[12] J. M. Frost and A. Walsh, "What Is Moving in Hybrid Halide Perovskite Solar Cells ?," Acc. Chem. Res., no. 49, p.528−535, 2016.

DOI: 10.1021/acs.accounts.5b00431

[13] T. Das, G. Di Liberto, and G. Pacchioni, "Density Functional Theory Estimate of Halide Perovskite Band Gap : When Spin Orbit Coupling Helps," J. Phys. Chem. C, no. 126, p.2184−2198, 2022.

DOI: 10.1021/acs.jpcc.1c09594

[14] G. Kresse and J. Furthmüller, "Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set," Comput. Mater. Sci., vol. 6, no. 1, p.15–50, 1996.

DOI: 10.1016/0927-0256(96)00008-0

[15] A. P. Thompson et al., "LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic , meso , and continuum scales," Comput. Phys. Commun., vol. 271, p.108171, 2022.

DOI: 10.1016/j.cpc.2021.108171

[16] P. Virtanen et al., "SciPy 1.0: fundamental algorithms for scientific computing in Python," Nature, vol. 17, no. March, 2020.

DOI: 10.1038/s41592-019-0686-2

[17] T. J. Jacobsson et al., "An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles," Nat. Energy, vol. 7, no. January, p.107–115, 2022.

DOI: 10.1038/s41560-021-00941-3

[18] W. H. K. Perera et al., "23.2% Efficient Low Band Gap Perovskite Solar Cells With Cyanogen Management," Energy Environ. Sci., vol. 18, no. 1, p.439–453, 2024.

DOI: 10.1039/d4ee03001j

[19] Y. Zhang et al., "Synchronized crystallization in tin-lead perovskite solar cells," Nat. Commun., vol. 15, no. 1, 2024.

DOI: 10.1038/s41467-024-51361-2

[20] F. Yang and K. Zhu, "Advances in Mixed Tin-Lead Narrow-Bandgap Perovskites for Single-Junction and All-Perovskite Tandem Solar Cells," Adv. Mater., 2024.

DOI: 10.1002/adma.202314341

[21] J. Zhou et al., "Mixed tin-lead perovskites with balanced crystallization and oxidation barrier for all-perovskite tandem solar cells," Nat. Commun., vol. 15, no. 1, p.1–10, 2024.

DOI: 10.1038/s41467-024-46679-w

[22] H. Lee, S. B. Kang, S. Lee, K. Zhu, and D. H. Kim, "Progress and outlook of Sn–Pb mixed perovskite solar cells," Nano Converg., vol. 10, no. 1,2023.

DOI: 10.1186/s40580-023-00371-9

[23] Y. A. Temitmie et al., "Overcoming the Open-Circuit Voltage Losses in Narrow Bandgap Perovskites for All- Perovskite Tandem Solar Cells," ACS Mater. Lett., 2024.

DOI: 10.1021/acsmaterialslett.4c01699

[24] L. K. Ono, S. Liu, and Y. Qi, "Reducing Detrimental Defects for High-Performance Metal Halide Perovskite Solar Cells," Angew. Chemie - Int. Ed., vol. 59, no. 17, p.6676–6698, 2020.

DOI: 10.1002/anie.201905521

[25] Z. Qu et al., "Enhanced charge carrier transport and defects mitigation of passivation layer for efficient perovskite solar cells," Nat. Commun. , vol. 15, no. 1, p.1–11, 2024.

DOI: 10.1038/s41467-024-52925-y

[26] Z. Zhang, H. Wang, T. J. Jacobsson, and J. Luo, "Big data driven perovskite solar cell stability analysis," Nat. Commun., vol. 13, no. 1, 2022.

DOI: 10.1038/s41467-022-35400-4

[27] Y. Ma, J. Gong, P. Zeng, and M. Liu, "Recent Progress in Interfacial Dipole Engineering for Perovskite Solar Cells," Nano-Micro Lett., vol. 15, no. 1, 2023.

DOI: 10.1007/s40820-023-01131-4

[28] W. Tress, "Perovskite Solar Cells on the Way to Their Radiative Efficiency Limit – Insights Into a Success Story of High Open-Circuit Voltage and Low Recombination," Adv. Energy Mater., vol. 7, no. 14, 2017.

DOI: 10.1002/aenm.201602358

[29] X. Cai et al., "Data-driven design of high-performance MASnxPb1-xI3 perovskite materials by machine learning and experimental realization," Light Sci. Appl., vol. 11, no. 1, 2022.

DOI: 10.1038/s41377-022-00924-3

[30] M. Saliba, E. Unger, L. Etgar, J. Luo, and T. J. Jacobsson, "A systematic discrepancy between the short circuit current and the integrated quantum efficiency in perovskite solar cells," Nat. Commun., vol. 14, no. 1, p.1–6, 2023.

DOI: 10.1038/s41467-023-41263-0

[31] T. Kirchartz, T. Markvart, U. Rau, and D. A. Egger, "Impact of small phonon energies on the charge-carrier lifetimes in metal-halide perovskites," arXiv, 2018.

DOI: 10.1021/acs.jpclett.7b03414

[32] J. Heo and S. Il Seok, "Perovskite solar cells with atomically coherent interlayers on SnO₂ electrodes," Nature, p.1–5, 2021.

[33] A. Saltelli, M. Ratto, D. G. Terry Andres, Francesca Campolongo, Jessica Cariboni, and S. T. Michaela Saisana, Global Sensitivity Analysis. The Primer. Print ISBN:9780470059975 |Online ISBN:9780470725184, 2008.

DOI: 10.1002/9780470725184

[34] F. Zhang, Y. Tian, Q. Liu, Y. Gao, X. Wang, and Z. Liu, "Uncertainty Analysis of Performance Parameters of a Hybrid Thermoelectric Generator Based on Sobol Sequence Sampling," Appl. Sci., p.1–17, 2025.

DOI: 10.3390/app15169180

[35] H. Xue, E. Birgersson, and R. Stangl, "Correlating variability of modeling parameters with photovoltaic performance: Monte Carlo simulation of a meso-structured perovskite solar cell," Appl. Energy, vol. 237, p.131–144, 2019.

DOI: 10.1016/j.apenergy.2018.12.066

[36] R. A. Afre and D. Pugliese, "Perovskite Solar Cells: A Review of the Latest Advances in Materials, Fabrication Techniques, and Stability Enhancement Strategies," Micromachines, vol. 15, no. 2, 2024.

DOI: 10.3390/mi15020192

[37] F. Ye et al., "Overcoming C60-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane," Nat. Commun., vol. 13, no. 1, 2022.

DOI: 10.1038/s41467-022-34203-x

[38] N. T. P. Hartono et al., "Stability follows efficiency based on the analysis of a large perovskite solar cells ageing dataset," Nat. Commun., vol. 14, no. 1, p.4869, 2023.

DOI: 10.1038/s41467-023-40585-3

[39] M. V. Khenkin et al., "Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures," Nat. Energy, vol. 5, no. 1, p.35–49, 2020.

DOI: 10.1038/s41560-019-0529-5

[40] D. Zhang, D. Li, Y. Hu, A. Mei, and H. Han, "Degradation pathways in perovskite solar cells and how to meet international standards," Commun. Mater., vol. 3, no. 1, 2022.

DOI: 10.1038/s43246-022-00281-z

[41] C. Huang, E. Gajewiak, A. Wright, W. Rodriguez-Kazeem, D. Heift, and J. C. Bear, "A comparative meta-analysis of gains in efficiency in Pb- and Sn-based perovskite solar cells over the last decade," Wiley-VCH, 2023.

DOI: 10.1002/zaac.202300045