Abstract
HighlightsDevice simulations and first-principle calculations are employed to derive a guideline for the optimization of CsPbI3-based perovskite solar cells (PSCs).The open voltage and power conversion efficiency of the PSCs are, respectively, improved to 1.31 V and 21.06% by simultaneously introducing an ultra-thin TiO2 buffer layer and increasing the doping concentration of the ZnO electron transport layer.The influence of the interfacial buffer layer and doping of the CsPbI3/ZnO interface on PSC performance is discussed.
Highlights
Organolead halide perovskites (OHPs) have been regarded as promising absorber materials for photovoltaic devices owing to their excellent physical and fabrication properties, such as high absorption coefficients, long charge carrier diffusion lengths, and roll-to-roll processing approaches [1,2,3,4,5,6,7]
The results show that when introducing a TiO2 buffer layer while increasing the zinc oxide (ZnO) layer doping concentration, the open-circuit voltage, power conversion efficiency, and fill factor of the CsPbI3-based perovskite solar cells (PSCs) can be improved to 1.31 V, 21.06%, and 74.07%, respectively, which are superior to those of PSCs only modified by the T iO2 buffer layer or high-concentration doping of ZnO
Both the thicknesses of the absorber layer and electron transport layer strongly affect the performance of a solar cell device; it is necessary to optimize the thicknesses of the perovskite and ZnO ETL
Summary
Organolead halide perovskites (OHPs) have been regarded as promising absorber materials for photovoltaic devices owing to their excellent physical and fabrication properties, such as high absorption coefficients, long charge carrier diffusion lengths, and roll-to-roll processing approaches [1,2,3,4,5,6,7]. Previous reports regarding OHP-based PSCs have showed that inserting a buffer layer between the perovskite and ETL is an effective means to optimize the performances of OHP-based PSCs [36, 40]. To further understand the effects of inserting a layer, the CsPbI3-based PSCs with a ZnO ETL coupling with ultra-thin PCBM and TiO2 inserting layers are designed and investigated by device simulations and first-principle calculations. Novel molecular (e.g., triphenylphosphine oxide (TPPO) and phenyl-C61-butyric acid methyl ester (PCBM)) doping of the ETL has relieved the current hysteresis and increased the PCE of an OHPbased PSC from 19.01 to 20.69% Inspired by these results, modulating the doping concentration in the ZnO layer of a CsPbI3-based PSC with PCBM and T iO2 inserting layers is employed to further improve the performances of CsPbI3-based PSCs in this study. Our work can provide important guidance and understanding for device design and optimization from the considerations of theory
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