Inorganic Lead-Free B-γ-CsSnI(3) Perovskite Solar Cells Using Diverse Electron-Transporting Materials: A Simulation Study.
Inorganic Lead-Free B-γ-CsSnI(3) Perovskite Solar Cells Using Diverse Electron-Transporting Materials: A Simulation Study.
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DOI：
10.1021/acsomega.1c04096
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发表时间：
2021-10-12
期刊：
影响因子：
4.1
通讯作者：
Zhou J
中科院分区：
文献类型：
--
作者：
Lin S;Zhang B;Lü TY;Zheng JC;Pan H;Chen H;Lin C;Li X;Zhou J
采用不同的电子传输层（ETL，包括TiO 2、ZnO、SnO 2、GaN、C60和PCBM）模拟了B-γ-CsSnI 3钙钛矿太阳能电池（PSC），并进行了比较研究。模拟了规则和倒置的平面结构。研究了吸收层和ETL层厚度、ETL层掺杂、界面陷阱态对器件光伏性能的影响，优化了器件结构。规则结构具有比倒置结构大的短路电流密度（Jsc），但是倒置结构具有更大的填充因子（FF）。所有模拟的最佳PSC具有相似的开路电压（Voc）为10.96 V。具有TiO 2 ETL的PSC具有最好的光伏性能，最佳结构表现出最高的效率为20.2%，Voc为0.97 V，Jsc为29.67 mA/cm 2，FF为0.70。采用ZnO、GaN、C60和PCBM ETL的最佳PSC的效率分别为17.88%、18.09%、16.71%和16.59%。由于SnO 2/CsSnI 3界面处的悬崖状带偏移，具有SnO 2 ETL的最佳PSC在所有模拟PSC中表现出15.5%的最低效率。此外，发现界面陷阱密度和捕获截面的增加会降低PSC的光伏性能。本工作为CsSnI 3 PSC的设计和制备提供了理论依据。
B-γ-CsSnI3 perovskite solar cells (PSCs) are simulated employing diverse electron-transporting layers (ETLs, including TiO2, ZnO, SnO2, GaN, C60, and PCBM), and a comparative study has been made. Both regular and inverted planar structures are simulated. Effects of the thickness of absorbers and ETLs, doping of ETLs, and interface trap states on the photovoltaic performance are studied to optimize the device structures. The regular structures have larger short-circuit current density (Jsc) than the inverted structures, but the inverted structures have larger fill factor (FF). All of the simulated optimal PSCs have similar open-circuit voltages (Voc) of ∼0.96 V. The PSCs with TiO2 ETLs have the best photovoltaic performance, and the optimum structure exhibits the highest efficiency of 20.2% with a Voc of 0.97 V, Jsc of 29.67 mA/cm2, and FF of 0.70. The optimal PSCs with ZnO, GaN, C60, and PCBM ETLs exhibit efficiencies of 17.88, 18.09, 16.71, and 16.59%, respectively. The optimal PSC with SnO2 ETL exhibits the lowest efficiency of 15.5% in all of the simulated PSCs due to its cliff-like band offset at the SnO2/CsSnI3 interface. Furthermore, the increase of interface trap density and capture cross section is found to reduce the photovoltaic performance of PSCs. This work contributes to designing and fabricating CsSnI3 PSCs.
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