Simulation and Optimization of Hole Transport Layer Performance of Lead‐Free Perovskite Solar Cells

Author:

Zhao Qirong1ORCID,Yang Xiaobo2,Zhou Bao1,Xie Zaixin1,Duan Zhuoqi1,Zhao Enming1,Hu Yongmao1

Affiliation:

1. Dali University No. 2, Hongsheng Road Dali 671000 China

2. Kunming University of Science and Technology No. 727 Jingming South Road Kunming 650000 China

Abstract

AbstractThis 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.

Funder

Yunnan Provincial Science and Technology Department

National Natural Science Foundation of China

Publisher

Wiley

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