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正式MAPbI 3(MA = CH 3NH 3 +)太阳能电池存在明显的电滞效应现象, 这严重影响其光伏性能, 而反式结构的电池能有效压低电滞效应. 使用AMPS-1D程序对反式 MAPbI 3太阳能电池进行系统理论模拟和优化, 分别用Cu 2O, CuSCN, NiO x作为空穴传输材料, 用PC 61BM, TiO 2, ZnO作为电子传输材料. 数值模拟反式电池光伏性能随MAPbI 3材料厚度变化的情况, 结果显示ITO/NiO x/MAPbI 3/ZnO(或TiO 2)/Al太阳能电池的光伏性能最好. ITO的功函数从4.6 eV增加到5.0 eV能显著地提高Cu 2O—基和CuSCN—基反式MAPbI 3太阳能电池的光伏性能, 但对NiO x—基电池光伏性能的提升却很小. 实验上ITO功函数更合理范围为4.6—4.8 eV, 当ITO功函数达到4.8 eV时NiO x—基反式MAPbI 3太阳能电池达到最高效率29.588%. 空穴传输材料中空穴迁移率增加能极大地提高反式MAPbI 3太阳能电池的光伏性能, 而增加电子传输材料TiO 2中电子迁移率几乎不能提高电池的性能. 这些模拟结果将有助于实验上设计更高性能的反式MAPbI 3太阳能电池.
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关键词:
- 反式结构/
- 卤素钙钛矿太阳能电池/
- 光伏性能/
- 数值模拟
The existence of serious hysteresis effect for regular perovskite solar cells (PSCs) will affect their performances, however, the inverted PSCs can significantly suppress the hysteresis effect. To data, it has been very rarely reported to simulate the inverted planar heterojunction PSCs. In this paper, the effects of hole transport material (HTM), electron transport material (ETM), and ITO work function on performance of inverted MAPbI 3solar cells are carefully investigated in order to design the high-performance inverted PSCs. The inverted MAPbI 3solar cells using Cu 2O, CuSCN, or NiO xas HTM, and PC 61BM, TiO 2, or ZnO as ETM are simulated with the program AMPS-1D. Simulation results reveal that i) the inverted MAPbI 3solar cells choosing NiO xas HTM can effectively improve the photovoltaic performance, and the excellent photovoltaic performance obtained by using TiO 2as ETM is almost the same as by using ZnO as ETM; ii) the ITO work function increasing from 4.6 eV to 5.0 eV can significantly enhance the photovoltaic performances of Cu 2O— based and CuSCN— based inverted MAPbI 3solar cells, and the NiO x— based inverted MAPbI 3solar cells have only a minor photovoltaic performance enhancement; iii) based on the reported ITO work function between 4.6 eV and 4.8 eV, the maximum power conversion efficiency (PCE) of 27.075% and 29.588% for CuSCN— based and NiO x— based inverted MAPbI 3solar cells are achieved when the ITO work function reaches 4.8 eV. The numerical simulation gives that the increase of hole mobility in CuSCN and NiO xfor ITO/CuSCN/MAPbI 3/TiO 2/Al and ITO/NiO x/MAPbI 3/TiO 2/Al can greatly improve the device performance. Experimentally, the maximum hole mobility 0.1 cm 2·V –1·s –1in CuSCN restricts the photovoltaic performance improvement of CuSCN— based inverted MAPbI 3solar cells, which means that there is still room for the improvement of cell performance through increasing the hole mobility in CuSCN. It is found that NiO xwith a reasonable energy-band structure and high hole mobility 120 cm 2·V –1·s –1is an ideal HTM in inverted MAPbI 3solar cells. However, the increasing of electron mobility in TiO 2cannot improve the device photovoltaic performance of inverted MAPbI 3solar cells. These simulation results reveal the effects of ETM, HTM, and ITO work function on the photovoltaic performance of inverted MAPbI 3solar cells. Our researches may help to design the high-performance inverted PSCs.-
Keywords:
- inverted structure/
- halide perovskite solar cells/
- photovoltaic performance/
- numerical simulation
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Parameters MAPbI3 ZnO TiO2 PC61BM Dielectric constant 23.3[22] 8.12[25] 100[30] 3.9[18] Band gap/eV 1.51[23] 3.40[26] 3.2[31] 1.9[9] Electron affinity/eV 3.93[23] 4.19[27] 4.0[31] 3.9[9] Thickness/nm 40-400 90 90 90 Electron and hole mobility/cm2·V–1·s–1 50, 50[24] 150, 0.0001[28] 0.006, 0.006[30] 0.0005, 0.0001[18] Acceptor concentration/cm–3 (2.14 × 1017)[23] 0 0 0 Donor concentration/cm–3 0 (5 × 1019)[29] (5 × 1019)[30] 5 × 1019 Effective conduction band density/cm–3 1.66 × 1019 4.49 × 1018 1.0 × 1021 2.5 × 1020 Effective valence band density/cm–3 5.41 × 1018 5.39 × 1018 2.0 × 1020 2.5 × 1020 
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Parameters CuSCN NiOx Cu2O Dielectric constant 10[32] 11.9[36] 8.8[40] Band gap/eV 3.4[33] 3.7[37] 2.17[41] Electron affinity/eV 1.9[33] 1.5[38] 3.3[42] Thickness/nm 200 200 200 Electron and hole mobility/cm2·V–1·s–1 0.0001, 0.01—0.10[34] 0.0001, 120[39] 0.0001, 10[43] Acceptor concentration/cm–3 (5 × 1018)[35] (2.66 × 1017)[15] (5 × 1015)[43] Donor concentration/cm–3 0 0 0 Effective conduction band density/cm–3 1.79 × 1019 2.5 × 1019 2.5 × 1019 Effective valence band density/cm–3 2.51 × 1019 2.5 × 1019 2.5 × 1019 下载:
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