Device Simulation Of Solar Cell And Theoretical Calculation Based On All-inorganic Perovskite Materials

Since 2009,the metal halide perovskite solar cell has attracted much attention form the market and researchers due to its excellent optical-electrical characteristics,including their much lower than fabrication cost compared with silicon-based solar cell wildly available in the market,a simple manufacture process,the rapidly increased efficiency（from the initial power conversion efficiency of 3.8% to the current certified 25.2% efficiency within 10 years）,high light absorption coefficient,ambipolar charge transport properties and long carrier diffusion lengths.However,the existence of organic cation methylammonium（MA⁺） or formamidinium（FA⁺） makes the traditional organic-inorganic metal halide perovskite solar cells tend to degradation when placing them under high moisture and heat conditions.To solve this issue,the all-inorganic halide perovskite has attracted much interest on the grounds of volatile organic cation avoidance and thus their remarkable thermal stability.Among various all-inorganic materials,CsPbI₃ is considered as one of the most promising candidates for high performance solar cells due to its outstanding properties（adjustable bandgap and superior thermal stability）,In addition,structural engineering method and energy band matching have always been the focus of researchers among all methods to improve the performance of perovskite solar cells.In this study,Slivaco TCAD simulation software is used to optimize the performance of the all-inorganic CsPbI₃ perovskite solar cell by introducing different insertion layers,and analyze its principle theoretically by using first principles calculation.The main contents are as follows:（1）Explore the effects of ZnO electron transport layer or CsPbI₃ layer thickness and the doping concentration of ZnO electron transport layer on the properties of perovskite solar cell respectively.The results show that perovskite solar cells can achieve optimum performance when the thickness of perovskite layer is 200 nm,the thickness of ZnO layer is 40 nm and the doping concentration is 10²² cm^-3.And the efficiency of device based on single-Zn O-electron transport layer is reached to 15.09% with the optimization of solar cell structure;（2）Insert the fullerene derivative（PCBM） or TiO₂ insert layer between ZnO electron transport layer and perovskite light absorption layer and adjust the thickness of insert layer.The introduction of insert layer could suppress the non-radiative carrier recombination and enhance the net carrier generation rate,which is beneficial to improve the performance of perovskite solar cells.In addition,the doping concentrations of insert layer and ZnO electron transport layer were adjusted to further improve the performance of perovskite solar cells.The result exhibits that current hysteresis phenomenon in the J-V curve could be eliminated through adjusting the doping concentration of ZnO transport layer in TiO₂/ZnO bilayer and the performance of perovskite solar cell is improved;（3）Improve the performance of all-inorganic perovskite solar cell by adjusting the thickness and doping concentration of NiO hole transport layer.The results show that the doping concentration regulation is one of the effective methods to improve the photoelectric performance of CsPbI₃-based all-inorganic perovskite solar cells;（4）Summarizes the above research results,puts forward the shortcomings,predicts the next exploration direction and prospects the perovskite solar cells.