Iodine Electrochemistry in Perovskite solar cells via device modelling
Sapir Bitton a, Nir Tessler a
a Sara and Moshe Zisapel Nano-electronic Center, Electrical and Computer Electronics, Technion Israel Institute of Technology, Haifa, Israel
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Fall 2023 Conference (MATSUSFall23)
#MHPN3 - Fundamental Advances in Metal Halide Perovskites and Beyond: new materials, new mechanisms, and new challenges
Torremolinos, Spain, 2023 October 16th - 20th
Organizers: Paola Vivo, Qiong Wang and Kaifeng Wu
Oral, Sapir Bitton, presentation 011
DOI: https://doi.org/10.29363/nanoge.matsus.2023.011
Publication date: 18th July 2023

Over the past decade, perovskite-based solar cell efficiency has dramatically increased from 10% to over 25%, but their instability remains a significant challenge. Environmental factors such as humidity, oxygen, light, and heat have been shown to have a negative impact on these devices. In our previous work, we used drift-diffusion device simulations to demonstrate the role of ion penetration in transport layers toward contacts [2, 3]. This study expands on that model by including chemical reactions within or at connections. By using a drift-diffusion-reaction device model, we can account for the efficiency degradation of perovskite solar cells.

In this study, we simulate a MAPbI3 perovskite solar cell with free iodine anions and investigate how these ions affect cell performance. Our study indicates that chemical reactions involving iodine [4] can alter the charge distribution within the device and moreover lead to the formation of recombination centers for the charge carriers participating in these reactions. We also investigate the possibility of iodine ions penetrating the soft organic blocking layers and affecting the device contacts. To gain a deeper understanding of the interplay between different mechanisms, we analyze the impact of light and dark stress conditions. Finally, we examine irreversible processes such as the release of iodine molecules as gas and the immobilization of iodine species by reactive contacts.

This research was supported by the Ministry of Innovation, Science and Technology Israel, the M-ERANET grant PHANTASTIC Call 2021, the Adelis Foundation for renewable energy research within the framework of the Grand Technion Energy Program (GTEP), and the Technion Ollendorff Minerva Center. S. B. is a fellow of the Ariane de Rothschild Women’s Doctoral Programme.

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