Perovskite solar cells are the subject of numerous studies. These studies concern among others the optimal thickness and doping of the perovskite and the choice of charge transport materials. This work investigates the SCAPS simulation of a perovskite solar cell using separately SPIRO-OMeTAD, PEDOT:PSS, P3HT and Cu2O as the hole transport layer. The cell is completed with hematite as an electron transport layer. Thus, the simulation shows that the optimal thickness of the perovskite is around 700 nm and the optimal doping is 1020 cm？3. Regarding the hole transport layers, we designed the influence of the thickness between 5 nm and 20 nm of these layers. It appears that over this range of thickness, the four HTLs contribute to obtaining almost equal performance of the cell with 35.21%, the maximum efficiency (PCE) obtained with PEDOT:PSS and 35.16%, the minimum PCE obtained with SPIRO-OMeTAD. However, this efficiency can reach over 42% by doping the perovskite layer at 1020 cm？3 NA. These promising results open the way to experimental trials to determine the real limits for this cell.
References
[1]
Schmela, M., Rossi, R., Lits, C., Chunduri, S.K., Shah, A., Muthyal, R., et al. (2023) Advancements in Solar Technology, Markets, and Investments—A Summary of the 2022 ISA World Solar Reports. SolarCompass, 6, Article ID: 100045. https://doi.org/10.1016/j.solcom.2023.100045
[2]
Niewelt, T., Steinhauser, B., Richter, A., Veith-Wolf, B., Fell, A., Hammann, B., et al. (2022) Reassessment of the Intrinsic Bulk Recombination in Crystalline Silicon. SolarEnergyMaterialsandSolarCells, 235, Article ID: 111467. https://doi.org/10.1016/j.solmat.2021.111467
[3]
Shahivandi, H. (2025) Understanding Thermal Effects on Band Gap and Absorption in MAPbI3 Perovskite Solar Cells. SolidStateSciences, 168, Article ID: 108054. https://doi.org/10.1016/j.solidstatesciences.2025.108054
[4]
Khir, H., Pandey, A.K., Saidur, R., Ahmad, M.S. and Samykano, M. (2025) Advancements, Challenges and Future Prospects of Flexible Pb-Free Perovskite Solar Cells. JournalofPowerSources, 656, Article ID: 238025. https://doi.org/10.1016/j.jpowsour.2025.238025
[5]
Fischer, O., Bett, A.J., Zhu, Y., Messmer, C., Bui, A.D., Schygulla, P., et al. (2025) Revealing Charge Carrier Transport and Selectivity Losses in Perovskite Silicon Tandem Solar Cells. Matter. https://doi.org/10.1016/j.matt.2025.102404
[6]
Jakob, L., Wiedenmann, F., Hanser, M., Schube, J., Bivour, M., Fischer, O., et al. (2026) Multifunctional Ti(Al)Ox Layers for Silver and Indium-Free Perovskite/Silicon Tandem Solar Cells. Solar Energy Materials and Solar Cells, 294, Article ID: 113892. https://doi.org/10.1016/j.solmat.2025.113892
[7]
Szmytkowski, J., Huang, C., Bykkam, S., Glowienka, D. and Galagan, Y. (2025) Interface Passivation of a Hole Transporting Material in Order to Improve the Efficiency of Perovskite Solar Cells. SolarEnergy, 300, Article ID: 113817. https://doi.org/10.1016/j.solener.2025.113817
[8]
Wu, T., Liu, X., Luo, X., Lin, X., Cui, D., Wang, Y., et al. (2021) Lead-Free Tin Perovskite Solar Cells. Joule, 5, 863-886. https://doi.org/10.1016/j.joule.2021.03.001
[9]
Kim, G., Min, H., Lee, K.S., Lee, D.Y., Yoon, S.M. and Seok, S.I. (2020) Impact of Strain Relaxation on Performance of α-Formamidinium Lead Iodide Perovskite Solar Cells. Science, 370, 108-112. https://doi.org/10.1126/science.abc4417
[10]
Jiang, Q., Zhao, Y., Zhang, X., Yang, X., Chen, Y., Chu, Z., et al. (2019) Surface Passivation of Perovskite Film for Efficient Solar Cells. NaturePhotonics, 13, 460-466. https://doi.org/10.1038/s41566-019-0398-2
[11]
Njema, G.G., Kibet, J.K. and Ngari, S.M. (2025) Performance Optimization of a Novel Perovskite Solar Cell with Power Conversion Efficiency Exceeding 37% Based on Methylammonium Tin Iodide. NextEnergy, 6, Article ID: 100182. https://doi.org/10.1016/j.nxener.2024.100182
[12]
Moyofola, O.O. and Emetere, M.E. (2025) Improving the Performance Conversion Efficiency of Perovskite Solar Cells through Optimization of Charge Transport Layers: A Review. RenewableandSustainableEnergyReviews, 222, Article ID: 115943. https://doi.org/10.1016/j.rser.2025.115943
[13]
Panda, P., Kaur, J., Basu, R., Sharma, A.K., Madan, J. and Pandey, R. (2025) Toward High-Efficiency Photovoltaics: MASnI3 and FASnI3 Double Absorber Perovskite Solar Cells with Optimized Conversion Efficiency of 28%. PhysicaB: CondensedMatter, 710, Article ID: 417232. https://doi.org/10.1016/j.physb.2025.417232
[14]
Ghosh, A., Zishan, A.S., Moumita, M., Kumar, Y.A., Roy, A.K., Islam, S., et al. (2025) Improving the Performance of AgCdF3-Based Perovskite Solar Cells Using Machine Learning-Driven Adjustment of Active Layer and Charge Transport Materials with SCAPS-1D. InorganicChemistryCommunications, 179, Article ID: 114829. https://doi.org/10.1016/j.inoche.2025.114829
[15]
Hsu, C., Kumar, A., Reddy, M.S., Dehghanipour, M., Khorshidi, E., Al-Hasnaawei, S., et al. (2025) Emerging Multifunctional Additives in the Perovskite Layer and Its Interfaces with Charge Transport Layers: A Roadmap for Customized Applications in Perovskite Solar Cells. JournalofAlloysandCompounds, 1040, Article ID: 183421. https://doi.org/10.1016/j.jallcom.2025.183421
[16]
Lekshmy, R.R., Ammar, M., Ahmad, Z., Shakoor, A., Touati, F., Iwamoto, M., et al. (2025) Progress and Challenges in HTL-Free Pervoskite Solar Cells. Solar Energy, 300, Article ID: 113831. https://doi.org/10.1016/j.solener.2025.113831
[17]
Calió, L., Kazim, S., Grätzel, M. and Ahmad, S. (2016) Hole-Transport Materials for Perovskite Solar Cells. AngewandteChemieInternationalEdition, 55, 14522-14545. https://doi.org/10.1002/anie.201601757
[18]
Chien, H., Pölzl, M., Koller, G., Challinger, S., Fairbairn, C., Baikie, I., et al. (2017) Effects of Hole-Transport Layer Homogeneity in Organic Solar Cells—A Multi-Length Scale Study. SurfacesandInterfaces, 6, 72-80. https://doi.org/10.1016/j.surfin.2016.11.008
[19]
Liu, X., Jiang, X., Wang, K., Miao, C. and Zhang, S. (2022) Recent Advances in Selenophene-Based Materials for Organic Solar Cells. Materials, 15, Article 7883. https://doi.org/10.3390/ma15227883
[20]
Bakr, Z.H., Wali, Q., Fakharuddin, A., Schmidt-Mende, L., Brown, T.M. and Jose, R. (2017) Advances in Hole Transport Materials Engineering for Stable and Efficient Perovskite Solar Cells. NanoEnergy, 34, 271-305. https://doi.org/10.1016/j.nanoen.2017.02.025
[21]
Wang, Y., Luo, Q., Wu, N., Wang, Q., Zhu, H., Chen, L., et al. (2015) Solution-Processed MoO3:PEDOT:PSS Hybrid Hole Transporting Layer for Inverted Polymer Solar Cells. ACSAppliedMaterials&Interfaces, 7, 7170-7179. https://doi.org/10.1021/am509049t
[22]
Kenfack, A.D.K. and Msimanga, M. (2025) Effect of Low-Cost Hole Transport Layers (HTLs) on the Performance Parameters of Lead-Free Homojunction CsGeI2Br-Based Perovskite Solar Cells. NextMaterials, 6, Article ID: 100482. https://doi.org/10.1016/j.nxmate.2024.100482
[23]
Tuo, S., Koffi, K.B.M.K., Kamenan, K.A., Datte, J. and Yapi, A.S. (2024) SCAPS 1D Simulation of a Lead-Free Perovskite Photovoltaic Solar Cell Using Hematite as Electron Transport Layer. ModelingandNumericalSimulationofMaterialScience, 14, 97-106. https://doi.org/10.4236/mnsms.2024.144006
[24]
Waychunas, G.A., Kim, C.S. and Banfield, J.F. (2005) Nanoparticulate Iron Oxide Minerals in Soils and Sediments: Unique Properties and Contaminant Scavenging Mechanisms. JournalofNanoparticleResearch, 7, 409-433. https://doi.org/10.1007/s11051-005-6931-x
[25]
Burgelman, M., Nollet, P. and Degrave, S. (2000) Modelling Polycrystalline Semiconductor Solar Cells. ThinSolidFilms, 361, 527-532. https://doi.org/10.1016/s0040-6090(99)00825-1
[26]
Patel, P.K. (2021) Device Simulation of Highly Efficient Eco-Friendly CH3NH3SnI3 Perovskite Solar Cell. ScientificReports, 11, Article No. 3082. https://doi.org/10.1038/s41598-021-82817-w
[27]
Berardi, S., Cristino, V., Bignozzi, C.A., Grandi, S. and Caramori, S. (2022) Hematite-based Photoelectrochemical Interfaces for Solar Fuel Production. Inorganica Chimica Acta, 535, Article ID: 120862. https://doi.org/10.1016/j.ica.2022.120862
[28]
Mandadapu, U., Thyagarajan, K. and Vedanayakam, S.V. (2017) Simulation and Analysis of Lead Based Perovskite Solar Cell Using SCAPS-1D. IndianJournalofScienceandTechnology, 10, 1-8. https://doi.org/10.17485/ijst/2017/v10i11/110721
[29]
Alkhazali, A.M. (2019) Investigation the Effect of Post Deposition Thermal Treatment on Properties P3HT and P3HT:PCBM Blend. IraqiJournalofPhysics, 17, 65-75. https://doi.org/10.30723/ijp.v17i42.439
[30]
Kunya, S.I., Abdu, Y., Mustafa, M.K. and Ahmad, M.K. (2022) Cuprous Oxide (Cu2O) Based Solar Cell Thickness Dependence. BritishJournalofPhysicsStudies, 1, 1-7. https://doi.org/10.32996/bjps.2022.1.1.1
[31]
Slami, A., Bouchaour, M. and Merad, L. (2019) Numerical Study of Based Perovskite Solar Cells by SCAPS-1D. International Journal of Energy and Environment, 13, 17-21.
[32]
Akel, S., Kulkarni, A., Rau, U. and Kirchartz, T. (2023) Relevance of Long Diffusion Lengths for Efficient Halide Perovskite Solar Cells. PRXEnergy, 2, Article ID: 013004. https://doi.org/10.1103/prxenergy.2.013004
[33]
Oishi, A.H., Anjum, M.T., Islam, M.M. and Nayan, M.F. (2023) Impact of Absorber Layer Thickness on Perovskite Solar Cell Efficiency: A Performance Analysis. EuropeanJournalofElectricalEngineeringandComputerScience, 7, 48-51. https://doi.org/10.24018/ejece.2023.7.2.520
[34]
Qureshi, A.A., Javed, S., Akram, M.A., Schmidt-Mende, L. and Fakharuddin, A. (2023) Solvent-Assisted Crystallization of an α-Fe2O3 Electron Transport Layer for Efficient and Stable Perovskite Solar Cells Featuring Negligible Hysteresis. ACSOmega, 8, 18106-18115. https://doi.org/10.1021/acsomega.3c01405
[35]
Bouderbala, I.Y. and Hamdi, N.H. (2023) Effects of Absorber Layer Thickness and Doping Density on the Performance of Perovskite Solar Cells: A Simulation Analysis Using SCAPS-1D Software. Algerian Journal of Research and Technology, 8, 131-137.
[36]
Rakstys, K., Igci, C. and Nazeeruddin, M.K. (2019) Efficiency vs. Stability: Dopant-Free Hole Transporting Materials Towards Stabilized Perovskite Solar Cells. ChemicalScience, 10, 6748-6769. https://doi.org/10.1039/c9sc01184f
[37]
Cameron, J. and Skabara, P.J. (2020) The Damaging Effects of the Acidity in PEDOT:PSS on Semiconductor Device Performance and Solutions Based on Non-Acidic Alternatives. MaterialsHorizons, 7, 1759-1772. https://doi.org/10.1039/c9mh01978b
[38]
Li, S., Cao, Y., Li, W. and Bo, Z. (2021) A Brief Review of Hole Transporting Materials Commonly Used in Perovskite Solar Cells. RareMetals, 40, 2712-2729. https://doi.org/10.1007/s12598-020-01691-z
[39]
Lin, C., Liu, G., Xi, X., Wang, L., Wang, Q., Sun, Q., et al. (2022) The Investigation of the Influence of a Cu2O Buffer Layer on Hole Transport Layers in MAPbI3-Based Perovskite Solar Cells. Materials, 15, Article 8142. https://doi.org/10.3390/ma15228142
[40]
Yousuf, M.H., Saeed, F. and Tauqeer, H.A. (2022) Numerical Investigation of Cu2O as a Hole Transport Layer for High-Efficiency, Cadmium Free CIGS Solar Cell. https://doi.org/10.20944/preprints202110.0326.v2
[41]
Ahamad, M. and Hossain, A.K.M.A. (2023) Design and Optimization of Non-Toxic and Highly Efficient Tin-Based Organic Perovskite Solar Cells by Device Simulation. Heliyon, 9, e19389. https://doi.org/10.1016/j.heliyon.2023.e19389
[42]
Liang, J., Wang, Y., Liu, X., Chen, J., Peng, L. and Lin, J. (2024) Theoretical Analysis of Doping of Perovskite Light-Absorbing Layer for Highly Efficient Perovskite Solar Cells. JournalofPhysicsandChemistryofSolids, 188, Article ID: 111901. https://doi.org/10.1016/j.jpcs.2024.111901
[43]
Sinha, N.K., Roy, P., Ghosh, D.S. and Khare, A. (2023) Investigation of Effect of Doping in Perovskite Solar Cells: A Numerical Simulation Approach. MaterialsToday: Proceedings, 83, 6-13. https://doi.org/10.1016/j.matpr.2022.10.006
