Abstract
Numerical simulation can provide an effective theoretical basis for studying carrier transport, collection and diffusion in perovskite solar cells. We used SCAPS-1D software to perform numerical simulations based on CH3NH3Pb(I1−xBrx)3 solar cells. First, we analyzed the thickness of the absorbing layer, doping concentration and defect density, and found that the thickness of 0.5 μm and the defect density of 3 × 1011 cm−3 have great photoelectric conversion performance. We then adjusted the thickness and doping concentration of the hole transport layer to further optimize the P3HT hole transport and diffusion performance. In addition, we found that the interface defect layer has little effect on device performance, but the FTO layer plays an important role in the electron-free layer structure of transmitting electrons. Finally, we compared the electron-transport-layer-free structure with the traditional electron transport layer structure containing PC61BM, SnO2, TiO2 and C60, and predicted the excellent photoelectric conversion performance of the electron-transport-layer-free solar cell structure by 26.15%. Our work simplifies the preparation process of traditional solar cells, providing new insights not only for the development of high-efficiency solar cells, but also for the development of solar cells without electron transport layers.
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References
Ahmed, A., Riaz, K., Mehmood, H., Tauqeer, T., Ahmad, Z.: Performance optimization of CH3NH3Pb(I1-xBrx)3 based perovskite solar cells by comparing different ETL materials through conduction band offset engineering. Opt. Mater. 105, 5 (2020)
Ahmed, S., Jannat, F., Khan, M.A.K., Alim, M.A.: Numerical development of eco-friendly Cs2TiBr 6 based perovskite solar cell with all-inorganic charge transport materials via SCAPS-1D. Optik 225, 5 (2021)
AitDads, H., Bouzit, S., Nkhaili, L., Elkissani, A., Outzourhit, A.: Structural, optical and electrical properties of planar mixed perovskite halides/Al-doped Zinc oxide solar cells. Sol. Energy Mater. Sol. Cells 148, 30–33 (2016)
Bendenia, C., Merad-Dib, H., Bendenia, S., Bessaha, G., Hadri, B.: Theoretical study of the impact of the D/A system polymer and anodic interfacial layer on inverted organic solar cells (BHJ) performance. Opt. Mater. 121, 111588 (2021)
Chen, B., Rudd, P.N., Yang, S., Yuan, Y., Huang, J.: Imperfections and their passivation in halide perovskite solar cells. Chem. Soc. Rev. 48, 3842–3867 (2019)
Cherif, F.E., Hamza, M., Sammouda, H.: High irradiance performance of cesium-formamidinium-based mixed-halide perovskite for concentrator photovoltaics under various operating conditions. J. Phys. Chem. Solids 135, 10 (2019)
Draguta, S., Sharia, O., Yoon, S.J., Brennan, M.C., Morozov, Y.V., Manser, J.S., Kamat, P.V., Schneider, W.F., Kuno, M.: Rationalizing the light-induced phase separation of mixed halide organic-inorganic perovskites. Nat. Commun. 8, 200 (2017)
Hao, L., Zhou, M., Song, Y., Ma, X., Wu, J., Zhu, Q., Fu, Z., Liu, Y., Hou, G., Li, T.: Tin-based perovskite solar cells: Further improve the performance of the electron transport layer-free structure by device simulation. Sol. Energy 230, 345–354 (2021a)
Hao, L., Li, T., Ma, X., Wu, J., Qiao, L., Wu, X., Hou, G., Pei, H., Wang, X., Zhang, X.: A tin-based perovskite solar cell with an inverted hole-free transport layer to achieve high energy conversion efficiency by SCAPS device simulation. Opt. Quantum Electron. 53, 5 (2021b)
Hao, L., Wu, X., Wang, H., Song, Y., Ma, X., Zeng, Z., Wu, J., Tao, Y., Wang, Z., Liu, Y.: Improving the performance of organic lead–tin laminated perovskite solar cells from the perspective of device simulation. Opt. Quantum Electron. 54, 4 (2022)
Heo, J.H., Im, S.H., Noh, J.H., Mandal, T.N., Lim, C.-S., Chang, J.A., Lee, Y.H., Kim, H.-J., Sarkar, A., Nazeeruddin, M.K., Grätzel, M., Seok, S.I.: Efficient inorganic–organic hybrid heterojunction solar cells containing perovskite compound and polymeric hole conductors. Nat. Photonics 7, 486–491 (2013)
Huang, L., Sun, X., Li, C., Xu, R., Xu, J., Du, Y., Wu, Y., Ni, J., Cai, H., Li, J., Hu, Z., Zhang, J.: Electron transport layer-free planar perovskite solar cells: Further performance enhancement perspective from device simulation. Sol. Energy Mater. Sol. Cells 157, 1038–1047 (2016)
Imanishi, M., Kajiya, D., Koganezawa, T., Saitow, K.I.: Uniaxial orientation of P3HT film prepared by soft friction transfer method. Sci Rep 7, 5141 (2017)
Jayan, K.D., Sebastian, V.: Comprehensive device modelling and performance analysis of MASnI3 based perovskite solar cells with diverse ETM, HTM and back metal contacts. Sol. Energy 217, 40–48 (2021)
Jeong, J., Kim, M., Seo, J., Lu, H., Ahlawat, P., Mishra, A., Yang, Y., Hope, M.A., Eickemeyer, F.T., Kim, M., Yoon, Y.J., Choi, I.W., Darwich, B.P., Choi, S.J., Jo, Y., Lee, J.H., Walker, B., Zakeeruddin, S.M., Emsley, L., Rothlisberger, U., Hagfeldt, A., Kim, D.S., Gratzel, M., Kim, J.Y.: Pseudo-halide anion engineering for alpha-FAPbI3 perovskite solar cells. Nature 592, 381–385 (2021)
Jiang, M., Yuan, J., Cao, G., Tian, J.: In-situ fabrication of P3HT passivating layer with hole extraction ability for enhanced performance of perovskite solar cell. Chem. Eng. J. 402, 126152 (2020)
Karimi, E., Ghorashi, S.M.B.: Investigation of the influence of different hole-transporting materials on the performance of perovskite solar cells. Optik 130, 650–658 (2017)
Kojima, A., Teshima, K., Shirai, Y., Miyasaka, T.: Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. J. Am. Chem. Soc 131, 6050–6051 (2009)
Kung, P.K., Li, M.H., Lin, P.Y., Chiang, Y.H., Chan, C.R., Guo, T.F., Chen, P.: A review of inorganic hole transport materials for perovskite solar cells. Adv. Mater. Interfaces 5, 1800882 (2018)
Lin, L., Jiang, L., Li, P., Fan, B., Qiu, Y., Yan, F.: Simulation of optimum band structure of HTM-free perovskite solar cells based on ZnO electron transporting layer. Mater. Sci. Semicond. Process. 90, 1–6 (2019)
Lisensky, G.C., Dauzvardis, F., Young, M.M.K.: Periodic properties illustrated by CH3NH3Pb(I1–xBrx)3 solid solution perovskite semiconductors. J. Chem. Educ. 98, 2392–2397 (2021)
Mali, S.S., Hong, C.K., Inamdar, A.I., Im, H., Shim, S.E.: Efficient planar n-i-p type heterojunction flexible perovskite solar cells with sputtered TiO2 electron transporting layers. Nanoscale 9, 3095–3104 (2017)
Marchenko, E.I., Fateev, S.A., Petrov, A.A., Goodilin, E.A., Eremin, N.N., Tarasov, A.B.: Transferable approach of semi-empirical modeling of disordered mixed-halide hybrid perovskites CH3NH3Pb(I1–xBrx)3: prediction of thermodynamic properties, phase stability, and deviations from Vegard’s Law. J. Phys. Chem. C 123, 26036–26040 (2019)
Martynow, M., Glowienka, D., Galagan, Y., Guthmuller, J.: Effects of bromine doping on the structural properties and band gap of CH3NH3Pb(I1–x Br x )3 perovskite. ACS Omega 5, 26946–26953 (2020)
Pal, D., Das, S.: Numerical modeling and simulation for augmenting the photovoltaic response of HTL free perovskite solar cells. Mater. Today Proc. 46, 6367–6373 (2021)
Peng, G., Xu, X., Xu, G.: Hybrid organic-inorganic perovskites open a new era for low-cost, high efficiency solar cells. J. Nanomater. 2015, 1–10 (2015)
Pont, S., Bryant, D., Lin, C.-T., Aristidou, N., Wheeler, S., Ma, X., Godin, R., Haque, S.A., Durrant, J.R.: Tuning CH3NH3Pb(I1−xBrx)3 perovskite oxygen stability in thin films and solar cells. J. Mater. Chem. A 5, 9553–9560 (2017)
Ramli, N.F., Sepeai, S., Rostan, N.F.M., Ludin, N.A., Ibrahim, M.A., Teridi, M.A.M., Zaidi, S.H.: Model development of monolithic tandem silicon-perovskite solar cell by SCAPS simulation (2017)
Raoui, Y., Ez-Zahraouy, H., Tahiri, N., El Bounagui, O., Ahmad, S., Kazim, S.: Performance analysis of MAPbI3 based perovskite solar cells employing diverse charge selective contacts: Simulation study. Sol. Energy 193, 948–955 (2019)
Raza, E., Ahmad, Z., Aziz, F., Asif, M., Ahmed, A., Riaz, K., Bhadra, J., Al-Thani, N.J.: Numerical simulation analysis towards the effect of charge transport layers electrical properties on cesium based ternary cation perovskite solar cells performance. Sol. Energy 225, 842–850 (2021)
Ren, X., Wang, Z.S., Choy, W.C.H.: Device physics of the carrier transporting layer in planar perovskite solar cells. Adv. Opt. Mater. 7, 1900407 (2019)
Sadhanala, A., Deschler, F., Thomas, T.H., Dutton, S.E., Goedel, K.C., Hanusch, F.C., Lai, M.L., Steiner, U., Bein, T., Docampo, P., Cahen, D., Friend, R.H.: Preparation of single-phase films of CH3NH3Pb(I1-xBrx)3 with sharp optical band edges. J. Phys. Chem. Lett. 5, 2501–2505 (2014)
Sahu, A., Dixit, A.: Inverted structure perovskite solar cells: a theoretical study. Curr. Appl. Phys. 18, 1583–1591 (2018)
Salah, M.M., Hassan, K.M., Abouelatta, M., Shaker, A.: A comparative study of different ETMs in perovskite solar cell with inorganic copper iodide as HTM. Optik 178, 958–963 (2019)
Saxenaa, K., Gayathri, J., Guptab, N., Mehtac, D.S.: Progress in organic-inorganic hybrid perovskite solar cells: architecture, efficiency and stability. Indian J. Pure Appl. Phys. 60, 367–376 (2022)
Sharma, D., Mehra, R., Raj, B.: Mathematical modelling and simulation of CH3NH3Pb(I1-Xbrx)3 based perovskite solar cells for high efficiecy. Journal of Computational Electronics, 1-11 (2022)
Son, D.-Y., Lee, J.-W., Choi, Y.J., Jang, I.-H., Lee, S., Yoo, P.J., Shin, H., Ahn, N., Choi, M., Kim, D., Park, N.-G.: Self-formed grain boundary healing layer for highly efficient CH3NH3PbI3 perovskite solar cells. Nat. Energy 1, 15 (2016)
Sutter-Fella, C.M., Miller, D.W., Ngo, Q.P., Roe, E.T., Toma, F.M., Sharp, I.D., Lonergan, M.C., Javey, A.: Band tailing and deep defect states in CH3NH3Pb(I1–xBrx)3 perovskites as revealed by sub-bandgap photocurrent. ACS Energy Lett. 2, 709–715 (2017)
Wu, S., Zhang, J., Li, Z., Liu, D., Qin, M., Cheung, S.H., Lu, X., Lei, D., So, S.K., Zhu, Z., Jen, A.K.Y.: Modulation of defects and interfaces through Alkylammonium interlayer for efficient inverted perovskite solar cells. Joule 4, 1248–1262 (2020)
Yin, W.J., Yan, Y., Wei, S.H.: anomalous alloy properties in mixed halide perovskites. J. Phys. Chem. Lett. 5, 3625–3631 (2014)
Yu, Y., Zhang, F., Liu, C., Sun, Q., Li, Z., Cui, Y., Qin, W., Zhu, F., Hao, Y.: Formation of large grain and compact CH3NH3Pb(I1–xBrx)3 film by multisteps solvent postannealing for high-efficiency perovskite solar cells. IEEE J. Photovolt. 8, 1017–1022 (2018)
Zhao, Y., Miao, P., Elia, J., Hu, H., Wang, X., Heumueller, T., Hou, Y., Matt, G.J., Osvet, A., Chen, Y.T., Tarrago, M., de Ligny, D., Przybilla, T., Denninger, P., Will, J., Zhang, J., Tang, X., Li, N., He, C., Pan, A., Meixner, A.J., Spiecker, E., Zhang, D., Brabec, C.J.: Strain-activated light-induced halide segregation in mixed-halide perovskite solids. Nat. Commun. 11, 6328 (2020)
Zhu, W., Bao, C., Li, F., Yu, T., Gao, H., Yi, Y., Yang, J., Fu, G., Zhou, X., Zou, Z.: A halide exchange engineering for CH3NH3PbI3−Br perovskite solar cells with high performance and stability. Nano Energy 19, 17–26 (2016)
Zong, B., Fu, W., Liu, H., Huang, L., Bala, H., Wang, X., Sun, G., Cao, J., Zhang, Z.: Highly stable hole-conductor-free CH3NH3Pb(I1-Br )3 perovskite solar cells with carbon counter electrode. J. Alloys Compd. 748, 1006–1012 (2018)
Funding
This work was partially sponsored by Nation Natural Science Foundation of China (52076126), and Shanghai Science and Technology Committee (22010501500), Key Laboratory of Clean Power Generation and Environmental Protection Technology in Mechanical Industry.
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WC: Writing—original draft, Formal analysis, Software, Data curation, Conceptualization, Writing—review & editing. XZ: Supervision, Data curation. WL: Validation, Supervision, Software. CP: Investigation. YL: Resources. FL: Investigation. JL: Supervision. MW and JW: Writing—review & editing, Project administration. ZZ: Resources.
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Chu, W., Zhang, X., Li, W. et al. Numerical simulation of electron-transport-layer-free CH3NH3Pb(I1−xBrx)3 perovskite solar cells. Opt Quant Electron 55, 351 (2023). https://doi.org/10.1007/s11082-023-04554-w
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DOI: https://doi.org/10.1007/s11082-023-04554-w