In this work, a numerical study was carried out to analyze the impact of hybrid electron transport layers (h-ETLs) on the performance of MAPI1？xClx perovskite solar cells (PSCs) using the SCAPS-1D simulation software. Various h-ETL architectures, including PCBM-SnS2, TiO2-SnO2, PCBM/PCPB, and TiO2/ZnO, were investigated in order to optimize charge extraction and reduce recombination losses. The results indicate that the TiO2-SnO2 configuration exhibits the best optoelectronic performance, owing to favorable energy band alignment and enhanced electron transport properties. Parametric analysis reveals that an optimal absorber thickness of approximately 450 nm and an h-ETL thickness of about 30 nm lead to maximum power conversion efficiency. Furthermore, the investigation of defect density effects highlights that device performance is strongly dependent on defect states within the absorber layer, with defect densities below 1015 cm？3 resulting in significant improvements in short-circuit current density, open-circuit voltage, and overall efficiency. These findings emphasize the critical role of defect control in the development of high-efficiency and improved-stability perovskite solar cells.
References
[1]
Kojima, A., Teshima, K., Shirai, Y. and Miyasaka, T. (2009) Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells. JournaloftheAmericanChemicalSociety, 131, 6050-6051. https://doi.org/10.1021/ja809598r
[2]
Green, M.A., Ho-Baillie, A. and Snaith, H.J. (2014) The Emergence of Perovskite Solar Cells. NaturePhotonics, 8, 506-514. https://doi.org/10.1038/nphoton.2014.134
[3]
NREL (2024) Best Research-Cell Efficiencies Chart. National Renewable Energy Laboratory.
[4]
Kim, H., Lee, C., Im, J., Lee, K., Moehl, T., Marchioro, A., et al. (2012) Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%. Scientific Reports, 2, Article No. 591. https://doi.org/10.1038/srep00591
[5]
Niu, G., Guo, X. and Wang, L. (2015) Review of Recent Progress in Chemical Stability of Perovskite Solar Cells. Journal of Materials Chemistry A, 3, 8970-8980. https://doi.org/10.1039/c4ta04994b
[6]
Yang, J., Siempelkamp, B.D., Mosconi, E., De Angelis, F. and Kelly, T.L. (2017) Origin of Stability in Perovskite Solar Cells. Energy & Environmental Science, 10, 143-151.
Mosconi, E., Amat, A., Nazeeruddin, M.K., Grätzel, M. and De Angelis, F. (2013) First-Principles Modeling of Mixed Halide Perovskites. The Journal of Physical Chemistry Letters, 4, 3637-3642.
[9]
Colella, S., Mosconi, E., Pellegrino, G., et al. (2013) Elusive Stoichiometry of Mixed Halide Perovskites. Chemistry of Materials, 25, 4613-4618.
Leijtens, T., Eperon, G.E., Pathak, S., Abate, A., Lee, M.M. and Snaith, H.J. (2013) Overcoming Ultraviolet Light Instability of Perovskite Solar Cells. Energy & Environmental Science, 6, 3472-3481.
[13]
Ke, W. and Kanatzidis, M.G. (2019) Prospects for Low-Toxicity Lead-Free Perovskite Solar Cells. NatureCommunications, 10, Article No. 965. https://doi.org/10.1038/s41467-019-08918-3
[14]
Li, X., Bi, D., Yi, C., etal. (2020) A Vacuum Flash-Assisted Solution Process for High-Efficiency Perovskite Solar Cells. Advanced Functional Materials, 30, Article ID: 2000302.
[15]
Kim, J., Lee, S.H., Lee, J.H. and Hong, K.H. (2021) The Role of Interfaces in Perovskite Solar Cells. Energy & Environmental Science, 14, 2329-2340.
[16]
Patil, P., Mann, D.S., Nakate, U.T., Hahn, Y., Kwon, S. and Na, S. (2020) Hybrid Interfacial ETL Engineering Using Pcbm-SnS2 for High-Performance P-I-N Structured Planar Perovskite Solar Cells. ChemicalEngineeringJournal, 397, Article ID: 125504. https://doi.org/10.1016/j.cej.2020.125504
[17]
Li, S., Xing, Z., Wu, B., Chen, Z., Yao, Y., Tian, H., etal. (2020) Hybrid Fullerene-Based Electron Transport Layers Improving the Thermal Stability of Perovskite Solar Cells. ACSAppliedMaterials&Interfaces, 12, 20733-20740. https://doi.org/10.1021/acsami.0c02119
[18]
Noel, N.K., Stranks, S.D., Abate, A., etal. (2014) Enhanced Photoluminescence and Solar Cell Performance via Lewis Base Passivation. Energy & Environmental Science, 7, 3061-3068.
[19]
Wang, K., Liu, C., Du, P., Zheng, J. and Gong, X. (2019) Interface Engineering for Stable Perovskite Solar Cells. Advanced Materials, 31, Article ID: 1902037.
[20]
Yang, G., Tao, H., Qin, P., Ke, W. and Fang, G. (2016) SnS₂ as an Efficient Electron Transport Layer for Perovskite Solar Cells. Journal of Materials Chemistry A, 4, 15949-15954.
[21]
You, J., Hong, Z., Yang, Y., etal. (2014) Low-Temperature Solution-Processed Perovskite Solar Cells with High Efficiency. Nature Nanotechnology, 9, 468-473.
[22]
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
[23]
Burgelman, M., Decock, K., Niemegeers, A., Verschraegen, J. and Degrave, S. (2013) SCAPS Manual and Numerical Modeling of Solar Cells. Solar Energy Materials and Solar Cells, 110, 103-110.
[24]
Kanoun, A., Kanoun, M.B., Merad, A.E. and Goumri-Said, S. (2019) Toward Development of High-Performance Perovskite Solar Cells Based on CH3NH3GeI3 Using Computational Approach. SolarEnergy, 182, 237-244. https://doi.org/10.1016/j.solener.2019.02.041
[25]
Malla Hasan, H. and Onay, Ö. (2022) Investigation of Different Factors Affecting Perovskite Solar Cell Performance Using SCAPS. European Journal of Engineering Science and Technology, 5, 20-38.
[26]
Si, F., Tang, F., Xue, H. and Qi, R. (2016) Effects of Defect States on the Performance of Perovskite Solar Cells. JournalofSemiconductors, 37, Article ID: 072003. https://doi.org/10.1088/1674-4926/37/7/072003
[27]
Tress, W. (2017) Metal Halide Perovskites as Mixed Ionic-Electronic Conductors. Advanced Energy Materials, 7, Article ID: 1602358.
