The power conversion efficiency of lead halide perovskite solar cells has been elevated to 25.2%. However, the toxicity of lead and the complex fabrication process of those cells considerably hinder the commercial application of such solar cells. Therefore, lead-free solar cells with comparable power conversion efficiency with a much lower environmental impact have recently attracted enormous attention in both academia and industry. This paper presents a theoretical study to assess the energy conversion capacity of lead-free perovskite solar cells with MASnI3 perovskite as its absorber layer using solar cell capacitance simulator (SCAPS). In particular, the effects of materials of the perovskite solar cells’ electron transport layers (ETLs) and hole transport layers (HTLs) on their energy conversion performance are elaborated. Our results show that Cd0.5Zn0.5S and MASnBr3 are the most suitable materials for ETL and HTL, respectively. It is also found from that the solar cell performance can be further enhanced through optimizing the thickness and defect density of its absorber layer. Moreover, the effects of defect densities in interface layers are investigated. In addition, the effects of ETL and HTL doping densities as well as influences of the back-contact work function and operating temperature of the tin-based perovskite solar cells are discussed. Finally, a glass substrate/FTO/Cd0.5Zn0.5S (ETL)/MASnI3/MASnBr3 (HTL)/back-contact solar cell with a power conversion efficiency of 23.86% is recommended for further optimization.

To broaden the absorption spectrum of cells, enhance the cell stability, and avoid high costs, a novel perovskite solar cell (PSC) with the structure of fluorine-doped tin oxide (FTO)/ZnO/CsPbI3/FAPbI3/CuSCN/Au is designed using the solar cell capacitance simulator (SCAPS) software. The simulation results indicate that the CsPbI3/FAPbI3 heterojunction PSC has higher quantum efficiency (QE) characteristics than the single-junction CsPbI3-based PSC, and it outputs a higher short-circuit current density (Jsc) and power conversion efficiency (PCE). In order to optimize the device performance, several critical device parameters, including the thickness and defect density of both the CsPbI3 and FAPbI3 layers, the work function of the contact electrodes, and the operating temperature are systematically investigated. Through the optimum analysis, the thicknesses of CsPbI3 and FAPbI3 are optimized to be 100 and 700 nm, respectively, so that the cell could absorb photons more sufficiently without an excessively high recombination rate, and the cell achieved the highest PCE. The defect densities of CsPbI3 and FAPbI3 are set to 1012 cm−3 to effectively avoid the excessive carrier recombination centering on the cell to increase the carrier lifetime. Additionally, we found that when the work function of the metal back electrode is greater than 4.8 eV and FTO with a work function of 4.4 eV is selected as the front electrode, the excessively high Schottky barrier could be avoided and the collection of photogenerated carriers could be promoted. In addition, the operating temperature is proportional to the carrier recombination rate, and an excessively high temperature could inhibit Voc. After implementing the optimized parameters, the cell performance of the studied solar cell was improved. Its PCE reaches 28.75%, which is higher than most of existing solar cells. Moreover, the open circuit voltage (Voc), Jsc, and PCE are increased by 17%, 9.5%, and 25.1%, respectively. The results of this paper provide a methodology and approach for the construction of high-efficiency heterojunction PSCs.

Although perovskite solar cells have achieved excellent photoelectric conversion efficiencies, there are still some shortcomings, such as defects inside and at the interface as well as energy level dislocation, which may lead to non-radiative recombination and reduce stability. Therefore, in this study, a double electron transport layer (ETL) structure of FTO/TiO2/ZnO/(FAPbI3)0.85(MAPbBr3)0.15/Spiro-OMeTAD is investigated and compared with single ETL structures of FTO/TiO2/(FAPbI3)0.85(MAPbBr3)0.15/Spiro-OMeTAD and FTO/ZnO/(FAPbI3)0.85(MAPbBr3)0.15/Spiro-OMeTAD using the SCAPS-1D simulation software, with special attention paid to the defect density in the perovskite active layer, defect density at the interface between the ETL and the perovskite active layer, and temperature. Simulation results reveal that the proposed double ETL structure could effectively reduce the energy level dislocation and inhibit the non-radiative recombination. The increases in the defect density in the perovskite active layer, the defect density at the interface between the ETL and the perovskite active layer, and the temperature all facilitate carrier recombination. Compared with the single ETL structure, the double ETL structure has a higher tolerance for defect density and temperature. The simulation outcomes also confirm the possibility of preparing a stable perovskite solar cell.

No abstract

No abstract