Highly Air‐Stable Single‐Crystalline β‐CsPbI3 Nanorods: A Platform for Inverted Perovskite Solar Cells,Advanced Energy Materials

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Highly Air‐Stable Single‐Crystalline β‐CsPbI3 Nanorods: A Platform for Inverted Perovskite Solar Cells
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2020-06-26 , DOI: 10.1002/aenm.202001305
Somnath Mahato _{1,

2} , Arup Ghorai ₁ , Sanjeev Kumar Srivastava ₂ , Mantu Modak ₃ , Sudarshan Singh ₂ , Samit K. Ray _{2,

4}

Affiliation

The synthesis of single‐crystalline β‐CsPbI₃ perovskite nanorods (NRs) using a colloidal process is reported, exhibiting their improved photostability under 45–55% humidity. The crystal structure of CsPbI₃ NRs films is investigated using Rietveld refined X‐ray diffraction (XRD) patterns to determine crystallographic parameters and the phase transformation from orthorhombic (γ‐CsPbI₃) to tetragonal (β‐CsPbI₃) on annealing at 150 °C. Atomic resolution transmission electron microscopy images are utilized to determine the probable atomic distribution of Cs, Pb, and I atoms in a single β‐phase CsPbI₃ NR, in agreement with the XRD structure and selected area electron diffraction pattern, indicating the growth of single crystalline β‐CsPbI₃ NR. The calculation of the electronic band structure of tetragonal β‐CsPbI₃ using density functional theory (DFT) reveals a direct transition with a lower band gap and a higher absorption coefficient in the solar spectrum, as compared to its γ‐phase. An air‐stable (45–55% humidity) inverted perovskite solar cell, employing β‐CsPbI₃ NRs without any encapsulation, yields an efficiency of 7.3% with 78% enhancement over the γ‐phase, showing its potential for future low cost photovoltaic devices.

中文翻译：

高度稳定的单晶β-CsPbI3纳米棒：钙钛矿太阳能电池倒置平台

单晶β-CsPbI的合成_3个使用胶体过程钙钛矿纳米棒（NRS）报道，在45-55％湿度表现出它们改善的光稳定性。CsPbI的晶体结构₃使用的Rietveld进行了研究NRs的薄膜精制X射线衍射（XRD）图案，以确定晶体参数和从所述相变斜方晶（γ-CsPbI ₃）到正方晶（β-CsPbI ₃上退火）在150℃ C。利用原子分辨率透射电子显微镜图像确定单个β相CsPbI ₃中Cs，Pb和I原子的可能原子分布NR，与XRD结构和选择区域电子衍射图案，表明单晶β-CsPbI的生长协议₃ NR。四方β-CsPbI的电子能带结构的计算₃使用密度泛函理论（DFT）揭示了具有较低带隙并且相比于它的γ相直接过渡在太阳光谱更高的吸收系数。空气稳定的（45-55％湿度）反转钙钛矿太阳能电池中，使用β-CsPbI _3个卢比没有任何包封，得到的7.3％与78％的增强在所述γ相的效率，示出了用于将来低成本光伏其潜在设备。

更新日期：2020-08-11

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