All‐Inorganic CsPbIxBr3−x Perovskite Solar Cells: Crystal Anisotropy Effect
user-5fe1a78c4c775e6ec07359f9(2020)
摘要
Understanding the crystal anisotropy effect of materials on optical and electrical properties is crucial for further comprehension of the device operating mechanism and device performance improvement. In this study, a detailed theoretical analysis is performed to explore the crystal anisotropy effect on the performance of perovskite solar cells by employing state-of-the-art multiscale simulations connecting from the material (first-principle theory) to the device (drift-diffusion model). According to the results obtained from first-principle calculation, the mobility and absorption coefficient of CsPbIBr(2)and CsPbI2Br along the [001] orientation are larger than those along the [100] orientation, suggesting that the transport properties and optical properties along the [001] orientation are superior to those along the [100] orientation. According to the results obtained from the drift-diffusion model, owing to the superior optical and transport characters along the [001] direction, the optimal power conversion efficiencies (PCEs) of CsPbI2Br (18.88%) and CsPbIBr2(16.42%) solar cells can be obtained. In addition, the two-terminal CsPbIxBr3-x/silicon tandem solar cell is also investigated. By utilizing CsPbIBr2/silicon and CsPbI2Br/silicon tandem structures along the [001] orientation, ultrahigh efficiencies are achieved up to 26.32% and 31.39%, respectively. Therefore, the [001] crystal orientation of CsPbIBr(2)and CsPbI2Br is more suitable for further applications of optoelectronic devices.
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关键词
Perovskite (structure),Materials science,Crystallography,Crystal anisotropy
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