Qirong Zhao, Xiaobo Yang, Bao Zhou, Zaixin Xie, Zhuoqi Duan, Enming Zhao, Yongmao Hu
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引用次数: 0
摘要
本文采用 SCAPS 和 MS 软件相结合的方法，对 MASnI3、FASnI3、TiO2、C60、spiro-OMeTAD、PTAA、CuI、CuSCN、Cu2O 和 NiO 等多种电池材料的电池结构组合进行了筛选。无铅过氧化物太阳能电池（PSC）的结构：FTO/TiO2/MASnI3/Cu2O/Au 被认为具有最佳的电池性能。基于分子动力学理论，结合物理实验制备和表征结果，发现在 388 °C 下退火处理的 Cu2O 薄膜作为空穴传输层材料，可显著提高 PSC 的性能。通过优化，功率转换效率（PCE）和填充因子（FF）性能指标分别达到了 29.2% 和 87.32%，实现了优异的电池性能。
Simulation and Optimization of Hole Transport Layer Performance of Lead-Free Perovskite Solar Cells
This article employs a combined approach using SCAPS and MS software to screen the cell structure combinations of various cell materials such as MASnI3, FASnI3, TiO2, C60, spiro-OMeTAD, PTAA, CuI, CuSCN, Cu2O, and NiO. The structure of lead-free perovskite solar cells (PSCs): FTO/TiO2/MASnI3/Cu2O/Au is identified as having the best cell performance. Based on Molecular Dynamics theory, in combination with physical experimental preparation and characterization results, it is found that Cu2O thin films treated with annealing at 388 °C, as the hole transport layer material, can significantly enhance the performance of PSCs. This optimization led to power conversion efficiency (PCE) and fill factor (FF) performance indicators reaching 29.2% and 87.32%, achieving excellent cell performance.
期刊介绍：
Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including:
materials, chemistry, condensed matter physics
engineering, energy
life science, biology, medicine
atmospheric/environmental science, climate science
planetary science, astronomy, cosmology
method development, numerical methods, statistics
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