Salem Marwa S, Shaker Ahmed, Salah Mostafa Mohamed
Department of Computer Engineering, College of Computer Science and Engineering, University of Ha'il, Ha'il 55211, Saudi Arabia.
Faculty of Engineering, Ain Shams University, Cairo 11535, Egypt.
Polymers (Basel). 2023 Feb 9;15(4):869. doi: 10.3390/polym15040869.
In this study, we present some design suggestions for all-polymer solar cells by utilizing device simulation. The polymer solar cell under investigation is formed by a photoactive film of a blend comprising PBDB-T as a polymer donor and PZT as a polymerized small molecule acceptor. The initial cell is based on a fabricated cell whose structure is ITO/PEDOT:PSS/PBDB-T:PZT/PFN-Br/Ag, which has a power conversion efficiency (PCE) of about 14.9%. A calibration procedure is then performed by comparing the simulation results with experimental data to confirm the simulation models, and the material parameters, implemented in the SCAPS (Solar Cell Capacitance Simulator) simulator. To boost the open circuit voltage, we investigate a group of hole transport layer (HTL) materials. An HTL of CuI or P3HT, that may replace the PEDOT:PSS, results in a PCE of higher than 20%. However, this enhanced efficiency results in a minor S-shape curve in the current density-voltage (J-V) characteristic. So, to suppress the possibility of the appearance of an S-curve, we propose a double HTL structure, for which the simulation shows a higher PCE with a suppressed kink phenomenon due to the proper band alignment. Moreover, the designed cell is investigated when subjected to a low light intensity, and the cell shows a good performance, signifying the cell's suitability for indoor applications. The results of this simulation study can add to the potential development of highly efficient all-polymer solar cells.
在本研究中，我们通过器件模拟提出了一些全聚合物太阳能电池的设计建议。所研究的聚合物太阳能电池由一种共混光活性薄膜构成，该共混物包含作为聚合物给体的PBDB-T和作为聚合小分子受体的PZT。初始电池基于一个制造的电池，其结构为ITO/PEDOT:PSS/PBDB-T:PZT/PFN-Br/Ag，功率转换效率（PCE）约为14.9%。然后通过将模拟结果与实验数据进行比较来执行校准程序，以确认模拟模型以及在SCAPS（太阳能电池电容模拟器）模拟器中实现的材料参数。为了提高开路电压，我们研究了一组空穴传输层（HTL）材料。用CuI或P3HT作为HTL来替代PEDOT:PSS，可使PCE高于20%。然而，这种提高的效率在电流密度-电压（J-V）特性中导致了轻微的S形曲线。因此，为了抑制出现S曲线的可能性，我们提出了一种双HTL结构，模拟结果表明，由于合适的能带排列，该结构具有更高的PCE且扭结现象得到抑制。此外，对设计的电池在低光强条件下进行了研究，该电池表现出良好的性能，这表明该电池适用于室内应用。这项模拟研究的结果有助于高效全聚合物太阳能电池的潜在发展。
