Numerical Simulation of High-Performance CsPbI 3 /FAPbI 3 Heterojunction Perovskite Solar Cells

Yongjin Gan, Di Zhao, Binyi Qin, Xueguang Bi (), Yucheng Liu (), Weilian Ning, Ruizhao Yang and Qubo Jiang
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Yongjin Gan: Key Lab of Complex System Optimization and Big Data Processing, Guangxi Colleges and Universities, Yulin Normal University, Yulin 537000, China
Di Zhao: Key Lab of Complex System Optimization and Big Data Processing, Guangxi Colleges and Universities, Yulin Normal University, Yulin 537000, China
Binyi Qin: Key Lab of Complex System Optimization and Big Data Processing, Guangxi Colleges and Universities, Yulin Normal University, Yulin 537000, China
Xueguang Bi: School of Physics and Telecommunication Engineering, Yulin Normal University, Yulin 537000, China
Yucheng Liu: Department of Mechanical Engineering, South Dakota State University, Brookings, SD 57006, USA
Weilian Ning: School of Physics and Telecommunication Engineering, Yulin Normal University, Yulin 537000, China
Ruizhao Yang: Optoelectronic Information Research Center, Yulin Normal University, Yulin 537000, China
Qubo Jiang: Optoelectronic Information Processing Key Laboratory of Guangxi, Guilin University of Electronic Technology, Guilin 541004, China

Energies, 2022, vol. 15, issue 19, 1-18

Abstract: 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/CsPbI 3 /FAPbI 3 /CuSCN/Au is designed using the solar cell capacitance simulator (SCAPS) software. The simulation results indicate that the CsPbI 3 /FAPbI 3 heterojunction PSC has higher quantum efficiency ( QE ) characteristics than the single-junction CsPbI 3 -based PSC, and it outputs a higher short-circuit current density ( J sc ) 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 CsPbI 3 and FAPbI 3 layers, the work function of the contact electrodes, and the operating temperature are systematically investigated. Through the optimum analysis, the thicknesses of CsPbI 3 and FAPbI 3 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 CsPbI 3 and FAPbI 3 are set to 10 12 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 V oc . 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 ( V oc ), J sc , 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.

Keywords: perovskite solar cell; heterojunction; thickness; defect density; work function; temperature (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2022
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