Faculty of Science of Tunis, University of Tunis El Manar, 2092, Tunis, Tunisia; Research Unit "Materials, Energy and Renewable Energies", Université de Gafsa, 2112, Gafsa, Tunisia.
Department de Física Aplicada-ETSED, Universitat Politècnica de València, València, Spain.
J Mol Graph Model. 2023 Jul;122:108458. doi: 10.1016/j.jmgm.2023.108458. Epub 2023 Mar 28.
This work deals with the growth investigation of the methylammonium lead triiodide (MAPbI) thin films prepared by the spin coating technique. Firstly, MAPbI films were studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM) and UV-Visible spectroscopy as well as photoluminescence techniques are used to calculate the band gap energy. Indeed, the high-quality MAPbI perovskite films were obtained by using Chlorobenzene as an antisolvent with good crystallinity, large grain sizes, and higher absorption compared to MAPbI treated by toluene. Secondly, the performance of FTO/TiO/MAPbI/Spiro OMeTAD/Au perovskite solar cell was evaluated using a numerical simulation of the Solar Cell by SCAPS simulator. The effect of the structural and physical parameters of MAPbI absorber layer and HTL with the different antisolvents, including thickness, defect density, total charge density, donor density and electron affinity. Obtained results are: Jsc of 25.96 mA/cm, PCE of 30.70%, Voc of 1.259 V, FF of 88.93% of MAPbI-based solar cells when MAPbI is treated by toluene. However, for MAPbI- Chlorobenzene, the I-V characteristics are rather: Jsc of 28.18 mA/cm, PCE of 31.81%, FF of 88.19% and Voc of 1.200 V. It is pointed out that the use of chlorobenzene may be of interest to improve the perovskites solar cells performances.
这项工作研究了旋涂技术制备的甲脒碘化铅（MAPbI）薄膜的生长情况。首先，通过 X 射线衍射（XRD）、扫描电子显微镜（SEM）以及紫外-可见光谱和光致发光技术研究了 MAPbI 薄膜，并计算了带隙能。实际上，使用氯苯作为反溶剂，得到了高质量的 MAPbI 钙钛矿薄膜，与用甲苯处理的 MAPbI 相比，具有更好的结晶度、更大的晶粒尺寸和更高的吸收性。其次，使用 SCAPS 模拟器对 FTO/TiO/MAPbI/Spiro OMeTAD/Au 钙钛矿太阳能电池的性能进行了数值模拟。研究了 MAPbI 吸收层和 HTL 的结构和物理参数的影响，包括厚度、缺陷密度、总电荷密度、施主密度和电子亲和势，以及不同反溶剂的影响。得到的结果是：用甲苯处理的 MAPbI 太阳能电池的 Jsc 为 25.96 mA/cm，PCE 为 30.70%，Voc 为 1.259 V，FF 为 88.93%。然而，对于 MAPbI-氯苯，I-V 特性为：Jsc 为 28.18 mA/cm，PCE 为 31.81%，FF 为 88.19%，Voc 为 1.200 V。研究指出，使用氯苯可能有助于提高钙钛矿太阳能电池的性能。
